N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one

C93H149F3N22O5 — CID 158210687

IUPACN-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)nc(C(C)C)n2)C1.CC(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CCCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.CCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C19H29N3O.C17H27N3O.C16H26N4O.C15H26N4O.C14H24N4O.C12H17F3N4/c1-19(2,3)15-7-10-20-17(13-15)21-16-8-11-22(12-9-16)18(23)14-5-4-6-14;1-5-16(21)20-10-7-14(8-11-20)19-15-12-13(6-9-18-15)17(2,3)4;1-10(2)15-18-13(16(4,5)6)7-14(19-15)17-12-8-20(9-12)11(3)21;1-6-7-19(5)14-17-12(15(2,3)4)8-13(18-14)16-11-9-20-10-11;1-6-18(5)13-16-11(14(2,3)4)7-12(17-13)15-10-8-19-9-10;1-11(2,3)8-4-9(17-7-5-16-6-7)19-10(18-8)12(13,14)15/h7,10,13-14,16H,4-6,8-9,11-12H2,1-3H3,(H,20,21);6,9,12,14H,5,7-8,10-11H2,1-4H3,(H,18,19);7,10,12H,8-9H2,1-6H3,(H,17,18,19);8,11H,6-7,9-10H2,1-5H3,(H,16,17,18);7,10H,6,8-9H2,1-5H3,(H,15,16,17);4,7,16H,5-6H2,1-3H3,(H,17,18,19)
InChIKeyGCARQLFMGYJRRP-UHFFFAOYSA-N
MW1712.36 g/mol
LogP15.96
Rot. Bonds20

About N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one

N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one (PubChem CID 158210687) has the molecular formula C93H149F3N22O5 and a molecular weight of 1712.36 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
PubChem CID158210687
Molecular FormulaC93H149F3N22O5
Molecular Weight1712.36 g/mol
Exact Mass1711.20
IUPAC NameN-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
SMILESCC(=O)N1CC(Nc2cc(C(C)(C)C)nc(C(C)C)n2)C1.CC(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CCCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.CCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C19H29N3O.C17H27N3O.C16H26N4O.C15H26N4O.C14H24N4O.C12H17F3N4/c1-19(2,3)15-7-10-20-17(13-15)21-16-8-11-22(12-9-16)18(23)14-5-4-6-14;1-5-16(21)20-10-7-14(8-11-20)19-15-12-13(6-9-18-15)17(2,3)4;1-10(2)15-18-13(16(4,5)6)7-14(19-15)17-12-8-20(9-12)11(3)21;1-6-7-19(5)14-17-12(15(2,3)4)8-13(18-14)16-11-9-20-10-11;1-6-18(5)13-16-11(14(2,3)4)7-12(17-13)15-10-8-19-9-10;1-11(2,3)8-4-9(17-7-5-16-6-7)19-10(18-8)12(13,14)15/h7,10,13-14,16H,4-6,8-9,11-12H2,1-3H3,(H,20,21);6,9,12,14H,5,7-8,10-11H2,1-4H3,(H,18,19);7,10,12H,8-9H2,1-6H3,(H,17,18,19);8,11H,6-7,9-10H2,1-5H3,(H,16,17,18);7,10H,6,8-9H2,1-5H3,(H,15,16,17);4,7,16H,5-6H2,1-3H3,(H,17,18,19)
InChIKeyGCARQLFMGYJRRP-UHFFFAOYSA-N
XLogP15.96
TPSA298.98 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001712.36
LogP ≤ 515.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[[4-(3-Hydroxy-3-methylazetidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]-1-[5-(2-methoxypyrimidin-5-yl)pyridin-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 152392485
(5Z,8Z,11Z,14Z,17Z)-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-yl]icosa-5,8,11,14,17-pentaenamide
CID 86764505
(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
2-N-methyl-2-N-[2-[1-[4-[(4-methylpyridin-2-yl)amino]-6-piperidin-3-ylpyrimidin-2-yl]ethoxy]ethyl]-6-piperidin-4-yl-4-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidine-2,4-diamine
CID 117685340
3-Methoxy-1-[3-[6-[(4-methyl-2-pyridinyl)amino]-2-[1-[3-[2-(2-methylpyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 117685495
(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-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]icosa-5,8,11,14,17-pentaenamide
CID 123584958
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

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one (CID 158210687) is N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one is CC(=O)N1CC(Nc2cc(C(C)(C)C)nc(C(C)C)n2)C1.CC(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CCCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.CCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.
What is the InChIKey of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is GCARQLFMGYJRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.C17H27N3O.C16H26N4O.C15H26N4O.C14H24N4O.C12H17F3N4/c1-19(2,3)15-7-10-20-17(13-15)21-16-8-11-22(12-9-16)18(23)14-5-4-6-14;1-5-16(21)20-10-7-14(8-11-20)19-15-12-13(6-9-18-15)17(2,3)4;1-10(2)15-18-13(16(4,5)6)7-14(19-15)17-12-8-20(9-12)11(3)21;1-6-7-19(5)14-17-12(15(2,3)4)8-13(18-14)16-11-9-20-10-11;1-6-18(5)13-16-11(14(2,3)4)7-12(17-13)15-10-8-19-9-10;1-11(2,3)8-4-9(17-7-5-16-6-7)19-10(18-8)12(13,14)15/h7,10,13-14,16H,4-6,8-9,11-12H2,1-3H3,(H,20,21);6,9,12,14H,5,7-8,10-11H2,1-4H3,(H,18,19);7,10,12H,8-9H2,1-6H3,(H,17,18,19);8,11H,6-7,9-10H2,1-5H3,(H,16,17,18);7,10H,6,8-9H2,1-5H3,(H,15,16,17);4,7,16H,5-6H2,1-3H3,(H,17,18,19).
What are the key properties of N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one?
N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 1712.36 g/mol, XLogP of 15.96, 20 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-N-ethyl-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;6-tert-butyl-2-N-methyl-4-N-(oxetan-3-yl)-2-N-propylpyrimidine-2,4-diamine;1-[3-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)amino]azetidin-1-yl]ethanone;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclobutylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 158210687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).