N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate

C93H125N21O8 — CID 159908118

IUPACN-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
SMILESCC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1
InChIInChI=1S/C28H39N5O3.C27H37N5O3.C20H24N6O.C18H25N5O/c1-28(2,3)36-26(34)17-29-16-20-11-13-22(14-12-20)32-27(35)24-15-25(31-19-30-24)33(18-21-9-10-21)23-7-5-4-6-8-23;1-3-23(27(34)35-2)28-16-19-11-13-21(14-12-19)31-26(33)24-15-25(30-18-29-24)32(17-20-9-10-20)22-7-5-4-6-8-22;1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2;1-3-9-23(10-4-2)17-11-16(20-13-21-17)18(24)22-15-7-5-14(12-19)6-8-15/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);11-15,18,20,22-23,28H,3-10,16-17H2,1-2H3,(H,31,33);7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27);5-8,11,13H,3-4,9-10,12,19H2,1-2H3,(H,22,24)
InChIKeyNWVGJPLKTHUIQI-UHFFFAOYSA-N
MW1665.16 g/mol
LogP15.38
Rot. Bonds36

About N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate

N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate (PubChem CID 159908118) has the molecular formula C93H125N21O8 and a molecular weight of 1665.16 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
PubChem CID159908118
Molecular FormulaC93H125N21O8
Molecular Weight1665.16 g/mol
Exact Mass1664.00
IUPAC NameN-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
SMILESCC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1
InChIInChI=1S/C28H39N5O3.C27H37N5O3.C20H24N6O.C18H25N5O/c1-28(2,3)36-26(34)17-29-16-20-11-13-22(14-12-20)32-27(35)24-15-25(31-19-30-24)33(18-21-9-10-21)23-7-5-4-6-8-23;1-3-23(27(34)35-2)28-16-19-11-13-21(14-12-19)31-26(33)24-15-25(30-18-29-24)32(17-20-9-10-20)22-7-5-4-6-8-22;1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2;1-3-9-23(10-4-2)17-11-16(20-13-21-17)18(24)22-15-7-5-14(12-19)6-8-15/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);11-15,18,20,22-23,28H,3-10,16-17H2,1-2H3,(H,31,33);7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27);5-8,11,13H,3-4,9-10,12,19H2,1-2H3,(H,22,24)
InChIKeyNWVGJPLKTHUIQI-UHFFFAOYSA-N
XLogP15.38
TPSA363.84 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001665.16
LogP ≤ 515.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[cyclohexyl(2-methoxyethyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182916
6-[(cyclopropylmethyl)(2-methoxyethyl)amino]-N-1H-indazol-5-ylpyrimidine-4-carboxamide
CID 25182934
N-ethyl-3-methyl-N-[2-[5-morpholin-4-yl-1-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carbonyl]piperidin-3-yl]ethyl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137387396
6-[cyclohexyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;ethane
CID 143759072
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide
CID 143759099
N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 143759115
N-[4-(aminomethyl)-2-methylphenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;N-[4-(aminomethyl)phenyl]-6-[cyclohexyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[2-methyl-4-(methylaminomethyl)phenyl]pyrimidine-4-carboxamide;4-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoic acid
CID 157575403
6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)
CID 158430951
2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidin-4-yl]ethanone;2-[4-(aminomethyl)phenyl]-1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]ethanone;tert-butyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylamino]propanoate;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;2-(1H-indazol-5-yl)-1-[6-[2-methoxyethyl(propan-2-yl)amino]pyrimidin-4-yl]ethanone
CID 158460243
2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 158683769
N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide;N-[4-(aminomethyl)phenyl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-4-carboxamide;N-(1H-indazol-5-yl)-6-[2-methoxyethyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 159136471
6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
CID 159485706

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate (CID 159908118) is N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate is CC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
The InChIKey is NWVGJPLKTHUIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3.C27H37N5O3.C20H24N6O.C18H25N5O/c1-28(2,3)36-26(34)17-29-16-20-11-13-22(14-12-20)32-27(35)24-15-25(31-19-30-24)33(18-21-9-10-21)23-7-5-4-6-8-23;1-3-23(27(34)35-2)28-16-19-11-13-21(14-12-19)31-26(33)24-15-25(30-18-29-24)32(17-20-9-10-20)22-7-5-4-6-8-22;1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2;1-3-9-23(10-4-2)17-11-16(20-13-21-17)18(24)22-15-7-5-14(12-19)6-8-15/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);11-15,18,20,22-23,28H,3-10,16-17H2,1-2H3,(H,31,33);7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27);5-8,11,13H,3-4,9-10,12,19H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate has a molecular weight of 1665.16 g/mol, XLogP of 15.38, 36 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-(dipropylamino)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate is sourced from PubChem (CID 159908118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).