2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine

C146H201F8N33O8 — CID 157339423

IUPAC2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1cnc(CCC(N)=O)nc1.CC(C)c1cnc(N(C)CC(N)=O)nc1.CC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1.CC(C)c1cnc(N2CC(F)(F)C2)nc1.CC(C)c1cnc(N2CCC2)nc1.CC(C)c1cnc(N2CCOCC2)c(C#N)c1.CC(C)c1cnc(N2CCOCC2)c(C(F)(F)F)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C
InChIInChI=1S/C14H21N3O.2C14H16N2.C13H17F3N2O.2C13H19N3O.C13H17N3O.C12H17F3N2O.C10H13F2N3.C10H16N4O.C10H15N3O.C10H15N3/c1-11(2)13-4-5-14(15-10-13)17-8-6-16(7-9-17)12(3)18;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-3-5-19-6-4-18;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-7-11(8-14)13(15-9-12)16-3-5-17-6-4-16;1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18;1-7(2)8-3-13-9(14-4-8)15-5-10(11,12)6-15;1-7(2)8-4-12-10(13-5-8)14(3)6-9(11)15;1-7(2)8-5-12-10(13-6-8)4-3-9(11)14;1-8(2)9-6-11-10(12-7-9)13-4-3-5-13/h4-5,10-11H,6-9H2,1-3H3;2*4-10H,1-3H3;7-9H,3-6H2,1-2H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;7,9-10H,3-6H2,1-2H3;6-8,18H,4-5H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,7H,6H2,1-3H3,(H2,11,15);5-7H,3-4H2,1-2H3,(H2,11,14);6-8H,3-5H2,1-2H3
InChIKeyBGFLYYOEDLJINK-UHFFFAOYSA-N
MW2698.42 g/mol
LogP24.99
Rot. Bonds30

About 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine

2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 157339423) has the molecular formula C146H201F8N33O8 and a molecular weight of 2698.42 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID157339423
Molecular FormulaC146H201F8N33O8
Molecular Weight2698.42 g/mol
Exact Mass2696.62
IUPAC Name2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1cnc(CCC(N)=O)nc1.CC(C)c1cnc(N(C)CC(N)=O)nc1.CC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1.CC(C)c1cnc(N2CC(F)(F)C2)nc1.CC(C)c1cnc(N2CCC2)nc1.CC(C)c1cnc(N2CCOCC2)c(C#N)c1.CC(C)c1cnc(N2CCOCC2)c(C(F)(F)F)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C
InChIInChI=1S/C14H21N3O.2C14H16N2.C13H17F3N2O.2C13H19N3O.C13H17N3O.C12H17F3N2O.C10H13F2N3.C10H16N4O.C10H15N3O.C10H15N3/c1-11(2)13-4-5-14(15-10-13)17-8-6-16(7-9-17)12(3)18;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-3-5-19-6-4-18;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-7-11(8-14)13(15-9-12)16-3-5-17-6-4-16;1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18;1-7(2)8-3-13-9(14-4-8)15-5-10(11,12)6-15;1-7(2)8-4-12-10(13-5-8)14(3)6-9(11)15;1-7(2)8-5-12-10(13-6-8)4-3-9(11)14;1-8(2)9-6-11-10(12-7-9)13-4-3-5-13/h4-5,10-11H,6-9H2,1-3H3;2*4-10H,1-3H3;7-9H,3-6H2,1-2H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;7,9-10H,3-6H2,1-2H3;6-8,18H,4-5H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,7H,6H2,1-3H3,(H2,11,15);5-7H,3-4H2,1-2H3,(H2,11,14);6-8H,3-5H2,1-2H3
InChIKeyBGFLYYOEDLJINK-UHFFFAOYSA-N
XLogP24.99
TPSA479.56 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002698.42
LogP ≤ 524.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

(E)-N-[4-[2-[4-[2-[2-[[(Z)-5-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]anilino]-5-oxo-3-(trifluoromethyl)pent-3-en-2-yl]amino]pyrimidin-5-yl]-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 88970843
(E)-N-[4-[2-[4-[2-[2-[[(E)-5-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]anilino]-3-methyl-5-oxopent-3-en-2-yl]amino]pyrimidin-5-yl]-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 88970848
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl]icosa-5,8,11,14,17-pentaenamide
CID 117795964
N-[5-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-cyano-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide;N-[5-[6-cyano-5-[[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272112
23-(11-Fluoro-19-oxo-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2,4,6(33),8(32),9,11,25,28-nonaen-4-yl)-15-(2-hydroxyethoxymethyl)-20,24-dimethyl-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
CID 123446513
1-[2-[4-[2-[Methyl-[2-[2-[4-[(4-methyl-2-pyridinyl)amino]-6-piperidin-3-ylpyrimidin-2-yl]propoxy]ethyl]amino]-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-2-yl]-5-[6-[(4-methyl-2-pyridinyl)amino]-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 123706224
N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-5-[[5-[4-[4-[2-[4-[[4-methyl-3-(trifluoromethyl)pent-2-enoyl]amino]phenyl]acetyl]piperazin-1-yl]-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-yl]amino]-3-(trifluoromethyl)pent-2-enamide
CID 123760326
21-[23-(2,2-Difluoropent-3-enoyl)-19-oxo-7,14,17,20,23,26,33-heptaza-5-azoniapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-5-yl]-20,24-dimethyl-15-[2-(4-methylpiperazin-1-yl)ethoxymethyl]-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
CID 123812182
N-[2-[[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl]icosa-5,8,11,14,17-pentaenamide
CID 123997428
3-[[2-[5-[2-[4-(1-Hydroxypropan-2-ylamino)-5,6-dimethylpyrimidin-2-yl]pyridin-4-yl]pyridin-2-yl]-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one
CID 129301510
6-[1-[(Z)-but-2-en-2-yl]azetidin-3-yl]-N-(4-cyclopropyl-2-pyridinyl)-2-(3,3-difluoroazetidin-1-yl)pyrimidin-4-amine;4-[2-propan-2-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-2-one
CID 144740129
ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 144740205

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine (CID 157339423) is 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine is CC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1.CC(C)c1ccc(N2CCN(C)C(=O)C2)nc1.CC(C)c1cnc(CCC(N)=O)nc1.CC(C)c1cnc(N(C)CC(N)=O)nc1.CC(C)c1cnc(N(C)CCO)c(C(F)(F)F)c1.CC(C)c1cnc(N2CC(F)(F)C2)nc1.CC(C)c1cnc(N2CCC2)nc1.CC(C)c1cnc(N2CCOCC2)c(C#N)c1.CC(C)c1cnc(N2CCOCC2)c(C(F)(F)F)c1.Cc1cc(-c2ccccn2)ncc1C(C)C.Cc1cc(-c2ccncc2)ncc1C(C)C.Cc1cc(N2CCNC(=O)C2)ncc1C(C)C.
What is the InChIKey of 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is BGFLYYOEDLJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2C14H16N2.C13H17F3N2O.2C13H19N3O.C13H17N3O.C12H17F3N2O.C10H13F2N3.C10H16N4O.C10H15N3O.C10H15N3/c1-11(2)13-4-5-14(15-10-13)17-8-6-16(7-9-17)12(3)18;1-10(2)13-9-16-14(8-11(13)3)12-4-6-15-7-5-12;1-10(2)12-9-16-14(8-11(12)3)13-6-4-5-7-15-13;1-9(2)10-7-11(13(14,15)16)12(17-8-10)18-3-5-19-6-4-18;1-9(2)11-7-15-12(6-10(11)3)16-5-4-14-13(17)8-16;1-10(2)11-4-5-12(14-8-11)16-7-6-15(3)13(17)9-16;1-10(2)12-7-11(8-14)13(15-9-12)16-3-5-17-6-4-16;1-8(2)9-6-10(12(13,14)15)11(16-7-9)17(3)4-5-18;1-7(2)8-3-13-9(14-4-8)15-5-10(11,12)6-15;1-7(2)8-4-12-10(13-5-8)14(3)6-9(11)15;1-7(2)8-5-12-10(13-6-8)4-3-9(11)14;1-8(2)9-6-11-10(12-7-9)13-4-3-5-13/h4-5,10-11H,6-9H2,1-3H3;2*4-10H,1-3H3;7-9H,3-6H2,1-2H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8,10H,6-7,9H2,1-3H3;7,9-10H,3-6H2,1-2H3;6-8,18H,4-5H2,1-3H3;3-4,7H,5-6H2,1-2H3;4-5,7H,6H2,1-3H3,(H2,11,15);5-7H,3-4H2,1-2H3,(H2,11,14);6-8H,3-5H2,1-2H3.
What are the key properties of 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine?
2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 2698.42 g/mol, XLogP of 24.99, 30 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-propan-2-ylpyrimidine;2-(3,3-difluoroazetidin-1-yl)-5-propan-2-ylpyrimidine;1-methyl-4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-(4-methyl-5-propan-2-yl-2-pyridinyl)piperazin-2-one;4-methyl-5-propan-2-yl-2-pyridin-2-ylpyridine;4-methyl-5-propan-2-yl-2-pyridin-4-ylpyridine;2-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]acetamide;2-[methyl-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-morpholin-4-yl-5-propan-2-ylpyridine-3-carbonitrile;1-[4-(5-propan-2-yl-2-pyridinyl)piperazin-1-yl]ethanone;3-(5-propan-2-ylpyrimidin-2-yl)propanamide;4-[5-propan-2-yl-3-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 157339423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).