N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

C130H158N32O7 — CID 159529766

IUPACN-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccncc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C24H27N5O.C23H28N6O.C22H27N5O2.C22H29N5O.C20H25N5O.C19H22N6O/c30-24(28-21-12-13-25-20-9-5-4-8-19(20)21)22-14-23(27-16-26-22)29(15-17-10-11-17)18-6-2-1-3-7-18;1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18;23-21(28)16-8-10-17(11-9-16)26-22(29)19-12-20(25-14-24-19)27(13-15-6-7-15)18-4-2-1-3-5-18;23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19;26-20(24-16-8-10-21-11-9-16)18-12-19(23-14-22-18)25(13-15-6-7-15)17-4-2-1-3-5-17;1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h4-5,8-9,12-14,16-18H,1-3,6-7,10-11,15H2,(H,25,28,30);9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30);8-12,14-15,18H,1-7,13H2,(H2,23,28)(H,26,29);8-12,15,17,19H,1-7,13-14,23H2,(H,26,28);8-12,14-15,17H,1-7,13H2,(H,21,24,26);5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyMCVNGVIFRLBRQD-UHFFFAOYSA-N
MW2280.91 g/mol
LogP23.31
Rot. Bonds39

About N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide

N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 159529766) has the molecular formula C130H158N32O7 and a molecular weight of 2280.91 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID159529766
Molecular FormulaC130H158N32O7
Molecular Weight2280.91 g/mol
Exact Mass2279.30
IUPAC NameN-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccncc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C24H27N5O.C23H28N6O.C22H27N5O2.C22H29N5O.C20H25N5O.C19H22N6O/c30-24(28-21-12-13-25-20-9-5-4-8-19(20)21)22-14-23(27-16-26-22)29(15-17-10-11-17)18-6-2-1-3-7-18;1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18;23-21(28)16-8-10-17(11-9-16)26-22(29)19-12-20(25-14-24-19)27(13-15-6-7-15)18-4-2-1-3-5-18;23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19;26-20(24-16-8-10-21-11-9-16)18-12-19(23-14-22-18)25(13-15-6-7-15)17-4-2-1-3-5-17;1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h4-5,8-9,12-14,16-18H,1-3,6-7,10-11,15H2,(H,25,28,30);9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30);8-12,14-15,18H,1-7,13H2,(H2,23,28)(H,26,29);8-12,15,17,19H,1-7,13-14,23H2,(H,26,28);8-12,14-15,17H,1-7,13H2,(H,21,24,26);5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyMCVNGVIFRLBRQD-UHFFFAOYSA-N
XLogP23.31
TPSA500.97 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002280.91
LogP ≤ 523.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-Tert-butyl-1'-[2-(cyclopropylamino)quinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 91938004
(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone
CID 137387727
(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387792
(4,4-difluoropiperidin-1-yl)-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 139465695
5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 172442557
US11084800, Cpd No. 451
CID 135317899
US11084800, Cpd No. 460
CID 135319044
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1-methyl-N-pyridazin-4-ylindole-2-carboxamide
CID 137369555
7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-propan-2-ylquinoline-2-carboxamide
CID 137379365
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 137379378
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide
CID 137379383
N-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 137379398

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 159529766) is N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccncc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is MCVNGVIFRLBRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.C23H28N6O.C22H27N5O2.C22H29N5O.C20H25N5O.C19H22N6O/c30-24(28-21-12-13-25-20-9-5-4-8-19(20)21)22-14-23(27-16-26-22)29(15-17-10-11-17)18-6-2-1-3-7-18;1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18;23-21(28)16-8-10-17(11-9-16)26-22(29)19-12-20(25-14-24-19)27(13-15-6-7-15)18-4-2-1-3-5-18;23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19;26-20(24-16-8-10-21-11-9-16)18-12-19(23-14-22-18)25(13-15-6-7-15)17-4-2-1-3-5-17;1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h4-5,8-9,12-14,16-18H,1-3,6-7,10-11,15H2,(H,25,28,30);9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30);8-12,14-15,18H,1-7,13H2,(H2,23,28)(H,26,29);8-12,15,17,19H,1-7,13-14,23H2,(H,26,28);8-12,14-15,17H,1-7,13H2,(H,21,24,26);5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 2280.91 g/mol, XLogP of 23.31, 39 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;N-(4-carbamoylphenyl)-6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-pyridin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 159529766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).