2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile

C88H128N26O2 — CID 162141187

IUPAC2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
SMILESC.CC1(C)C[C@H](Nc2nc(NCCc3cccc4cc[nH]c34)ncc2C#N)CC[C@@H]1O.COc1cccc(CCNc2ncc(C#N)c(N[C@@H]3CC[C@H](C)C(C)(C)C3)n2)n1.C[C@H]1CC[C@@H](Nc2nc(NCCc3ccn[nH]3)ncc2C#N)CC1(C)C.C[C@H]1CC[C@@H](Nc2nc(NCCc3cnc(C4CC4)nc3)ncc2C#N)CC1(C)C.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H31N7.C23H28N6O.C22H30N6O.C19H27N7.CH4.4H2/c1-15-4-7-19(10-23(15,2)3)29-21-18(11-24)14-28-22(30-21)25-9-8-16-12-26-20(27-13-16)17-5-6-17;1-23(2)12-18(6-7-19(23)30)28-21-17(13-24)14-27-22(29-21)26-11-9-16-5-3-4-15-8-10-25-20(15)16;1-15-8-9-18(12-22(15,2)3)27-20-16(13-23)14-25-21(28-20)24-11-10-17-6-5-7-19(26-17)29-4;1-13-4-5-16(10-19(13,2)3)24-17-14(11-20)12-22-18(25-17)21-8-6-15-7-9-23-26-15;;;;;/h12-15,17,19H,4-10H2,1-3H3,(H2,25,28,29,30);3-5,8,10,14,18-19,25,30H,6-7,9,11-12H2,1-2H3,(H2,26,27,28,29);5-7,14-15,18H,8-12H2,1-4H3,(H2,24,25,27,28);7,9,12-13,16H,4-6,8,10H2,1-3H3,(H,23,26)(H2,21,22,24,25);1H4;4*1H/t15-,19+;18-,19+;15-,18+;13-,16+;;;;;/m0100...../s1
InChIKeyZJYGYPMWHIXSIQ-JIGNDHMPSA-N
MW1582.17 g/mol
LogP17.14
Rot. Bonds26

About 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile

2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile (PubChem CID 162141187) has the molecular formula C88H128N26O2 and a molecular weight of 1582.17 g/mol. Its IUPAC name is 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
PubChem CID162141187
Molecular FormulaC88H128N26O2
Molecular Weight1582.17 g/mol
Exact Mass1581.07
IUPAC Name2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
SMILESC.CC1(C)C[C@H](Nc2nc(NCCc3cccc4cc[nH]c34)ncc2C#N)CC[C@@H]1O.COc1cccc(CCNc2ncc(C#N)c(N[C@@H]3CC[C@H](C)C(C)(C)C3)n2)n1.C[C@H]1CC[C@@H](Nc2nc(NCCc3ccn[nH]3)ncc2C#N)CC1(C)C.C[C@H]1CC[C@@H](Nc2nc(NCCc3cnc(C4CC4)nc3)ncc2C#N)CC1(C)C.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H31N7.C23H28N6O.C22H30N6O.C19H27N7.CH4.4H2/c1-15-4-7-19(10-23(15,2)3)29-21-18(11-24)14-28-22(30-21)25-9-8-16-12-26-20(27-13-16)17-5-6-17;1-23(2)12-18(6-7-19(23)30)28-21-17(13-24)14-27-22(29-21)26-11-9-16-5-3-4-15-8-10-25-20(15)16;1-15-8-9-18(12-22(15,2)3)27-20-16(13-23)14-25-21(28-20)24-11-10-17-6-5-7-19(26-17)29-4;1-13-4-5-16(10-19(13,2)3)24-17-14(11-20)12-22-18(25-17)21-8-6-15-7-9-23-26-15;;;;;/h12-15,17,19H,4-10H2,1-3H3,(H2,25,28,29,30);3-5,8,10,14,18-19,25,30H,6-7,9,11-12H2,1-2H3,(H2,26,27,28,29);5-7,14-15,18H,8-12H2,1-4H3,(H2,24,25,27,28);7,9,12-13,16H,4-6,8,10H2,1-3H3,(H,23,26)(H2,21,22,24,25);1H4;4*1H/t15-,19+;18-,19+;15-,18+;13-,16+;;;;;/m0100...../s1
InChIKeyZJYGYPMWHIXSIQ-JIGNDHMPSA-N
XLogP17.14
TPSA407.12 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001582.17
LogP ≤ 517.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;molecular hydrogen
CID 160623895
2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen
CID 158215554
2-[2-[2-(1,1-difluoroethyl)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-[3-(trifluoromethyl)phenyl]ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;2-[2-[4-(trifluoromethyl)phenyl]ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 159917323
2-[2-(4-chlorophenyl)ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 118179463
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(7-methoxy-3H-inden-1-yl)ethylamino]pyrimidine-5-carbonitrile
CID 149039667
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(4-methylsulfinylphenyl)ethylamino]pyrimidine-5-carbonitrile
CID 118179496
2-[2-[4-(2,2-difluoropropoxy)phenyl]ethylamino]-4-[(4-hydroxy-3,3-dimethylcyclohexyl)amino]pyrimidine-5-carbonitrile
CID 123641050
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(2H-indazol-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118182860
4-[2-[[5-cyano-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidin-2-yl]amino]ethyl]benzenesulfinamide;hydrate
CID 162327600
2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 118182889
2-[2-[4-cyano-3-(trifluoromethyl)phenyl]ethylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile
CID 118182882
4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-[4-(5-methyltetrazol-1-yl)phenyl]ethylamino]pyrimidine-5-carbonitrile
CID 118182947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile (CID 162141187) is 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile is C.CC1(C)C[C@H](Nc2nc(NCCc3cccc4cc[nH]c34)ncc2C#N)CC[C@@H]1O.COc1cccc(CCNc2ncc(C#N)c(N[C@@H]3CC[C@H](C)C(C)(C)C3)n2)n1.C[C@H]1CC[C@@H](Nc2nc(NCCc3ccn[nH]3)ncc2C#N)CC1(C)C.C[C@H]1CC[C@@H](Nc2nc(NCCc3cnc(C4CC4)nc3)ncc2C#N)CC1(C)C.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is ZJYGYPMWHIXSIQ-JIGNDHMPSA-N. The full InChI is InChI=1S/C23H31N7.C23H28N6O.C22H30N6O.C19H27N7.CH4.4H2/c1-15-4-7-19(10-23(15,2)3)29-21-18(11-24)14-28-22(30-21)25-9-8-16-12-26-20(27-13-16)17-5-6-17;1-23(2)12-18(6-7-19(23)30)28-21-17(13-24)14-27-22(29-21)26-11-9-16-5-3-4-15-8-10-25-20(15)16;1-15-8-9-18(12-22(15,2)3)27-20-16(13-23)14-25-21(28-20)24-11-10-17-6-5-7-19(26-17)29-4;1-13-4-5-16(10-19(13,2)3)24-17-14(11-20)12-22-18(25-17)21-8-6-15-7-9-23-26-15;;;;;/h12-15,17,19H,4-10H2,1-3H3,(H2,25,28,29,30);3-5,8,10,14,18-19,25,30H,6-7,9,11-12H2,1-2H3,(H2,26,27,28,29);5-7,14-15,18H,8-12H2,1-4H3,(H2,24,25,27,28);7,9,12-13,16H,4-6,8,10H2,1-3H3,(H,23,26)(H2,21,22,24,25);1H4;4*1H/t15-,19+;18-,19+;15-,18+;13-,16+;;;;;/m0100...../s1.
What are the key properties of 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile?
2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 1582.17 g/mol, XLogP of 17.14, 26 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]-2-[2-(1H-indol-7-yl)ethylamino]pyrimidine-5-carbonitrile;methane;2-[2-(6-methoxy-2-pyridinyl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile;molecular hydrogen;2-[2-(1H-pyrazol-5-yl)ethylamino]-4-[[(1R,4S)-3,3,4-trimethylcyclohexyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 162141187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).