N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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

C91H144F3N23O4 — CID 158178365

IUPACN-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1.CC(C)(C)c1cc(NC2CNC2)nc(N2CCNCC2)n1.CC(C)(C)c1cc(NC2COC2)nc(N2CCCC2)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CCc1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C19H29N3O.C17H27N3O.C15H26N6.C15H24N4O.C13H21N3O.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;1-15(2,3)12-8-13(18-11-9-17-10-11)20-14(19-12)21-6-4-16-5-7-21;1-15(2,3)12-8-13(16-11-9-20-10-11)18-14(17-12)19-6-4-5-7-19;1-5-11-15-10(13(2,3)4)6-12(16-11)14-9-7-17-8-9;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);8,11,16-17H,4-7,9-10H2,1-3H3,(H,18,19,20);8,11H,4-7,9-10H2,1-3H3,(H,16,17,18);6,9H,5,7-8H2,1-4H3,(H,14,15,16);4,7,16H,5-6H2,1-3H3,(H,17,18,19)
InChIKeyFYGRUYKJSVYDRK-UHFFFAOYSA-N
MW1681.30 g/mol
LogP13.85
Rot. Bonds17

About N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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 158178365) has the molecular formula C91H144F3N23O4 and a molecular weight of 1681.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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 CID158178365
Molecular FormulaC91H144F3N23O4
Molecular Weight1681.30 g/mol
Exact Mass1680.17
IUPAC NameN-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1.CC(C)(C)c1cc(NC2CNC2)nc(N2CCNCC2)n1.CC(C)(C)c1cc(NC2COC2)nc(N2CCCC2)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CCc1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C19H29N3O.C17H27N3O.C15H26N6.C15H24N4O.C13H21N3O.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;1-15(2,3)12-8-13(18-11-9-17-10-11)20-14(19-12)21-6-4-16-5-7-21;1-15(2,3)12-8-13(16-11-9-20-10-11)18-14(17-12)19-6-4-5-7-19;1-5-11-15-10(13(2,3)4)6-12(16-11)14-9-7-17-8-9;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);8,11,16-17H,4-7,9-10H2,1-3H3,(H,18,19,20);8,11H,4-7,9-10H2,1-3H3,(H,16,17,18);6,9H,5,7-8H2,1-4H3,(H,14,15,16);4,7,16H,5-6H2,1-3H3,(H,17,18,19)
InChIKeyFYGRUYKJSVYDRK-UHFFFAOYSA-N
XLogP13.85
TPSA302.73 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001681.30
LogP ≤ 513.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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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Launch Full Analysis

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
(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
(2S)-2-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 89627861
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
1-[3-[2-(3-Morpholin-4-ylazetidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 117685531
[3-[[6-[2-(Difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]azetidin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 117751131
(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
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
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
3,3,3-trifluoro-1-[4-[[2-[[6-methyl-5-(6-morpholin-4-ylpyrimidin-4-yl)-5,6-dihydro-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129261713

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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 158178365) is N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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(C)(C)c1cc(NC2CNC2)nc(C(F)(F)F)n1.CC(C)(C)c1cc(NC2CNC2)nc(N2CCNCC2)n1.CC(C)(C)c1cc(NC2COC2)nc(N2CCCC2)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CCC3)CC2)c1.CCC(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CCc1nc(NC2COC2)cc(C(C)(C)C)n1.
What is the InChIKey of N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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 FYGRUYKJSVYDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.C17H27N3O.C15H26N6.C15H24N4O.C13H21N3O.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;1-15(2,3)12-8-13(18-11-9-17-10-11)20-14(19-12)21-6-4-16-5-7-21;1-15(2,3)12-8-13(16-11-9-20-10-11)18-14(17-12)19-6-4-5-7-19;1-5-11-15-10(13(2,3)4)6-12(16-11)14-9-7-17-8-9;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);8,11,16-17H,4-7,9-10H2,1-3H3,(H,18,19,20);8,11H,4-7,9-10H2,1-3H3,(H,16,17,18);6,9H,5,7-8H2,1-4H3,(H,14,15,16);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-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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 1681.30 g/mol, XLogP of 13.85, 17 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine;N-(azetidin-3-yl)-6-tert-butyl-2-(trifluoromethyl)pyrimidin-4-amine;6-tert-butyl-2-ethyl-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine;[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 158178365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).