3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one

C88H114ClF3N34O13 — CID 159869795

IUPAC3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one
SMILESCOc1cccnc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(N)CC2)n1.NC1CCC(CNc2nc(NCc3ccc[nH]c3=O)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3cccnc3C(F)(F)F)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3ncccc3Cl)ncc2[N+](=O)[O-])CC1.N[C@@H]1CC[C@@H](CNc2nc(NCc3ccccc3)ncc2[N+](=O)[O-])CC1=O
InChIInChI=1S/C18H22F3N7O2.C18H25N7O3.C18H22N6O3.C17H22ClN7O2.C17H23N7O3/c19-18(20,21)15-12(2-1-7-23-15)9-25-17-26-10-14(28(29)30)16(27-17)24-8-11-3-5-13(22)6-4-11;1-28-16-3-2-8-20-14(16)10-22-18-23-11-15(25(26)27)17(24-18)21-9-12-4-6-13(19)7-5-12;19-14-7-6-13(8-16(14)25)10-20-17-15(24(26)27)11-22-18(23-17)21-9-12-4-2-1-3-5-12;18-13-2-1-7-20-14(13)9-22-17-23-10-15(25(26)27)16(24-17)21-8-11-3-5-12(19)6-4-11;18-13-5-3-11(4-6-13)8-20-15-14(24(26)27)10-22-17(23-15)21-9-12-2-1-7-19-16(12)25/h1-2,7,10-11,13H,3-6,8-9,22H2,(H2,24,25,26,27);2-3,8,11-13H,4-7,9-10,19H2,1H3,(H2,21,22,23,24);1-5,11,13-14H,6-10,19H2,(H2,20,21,22,23);1-2,7,10-12H,3-6,8-9,19H2,(H2,21,22,23,24);1-2,7,10-11,13H,3-6,8-9,18H2,(H,19,25)(H2,20,21,22,23)/t;;13-,14-;;/m..1../s1
InChIKeyNSETYHCOAMGTPN-OFMOVYBOSA-N
MW1948.55 g/mol
LogP12.36
Rot. Bonds36

About 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one

3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one (PubChem CID 159869795) has the molecular formula C88H114ClF3N34O13 and a molecular weight of 1948.55 g/mol. Its IUPAC name is 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one
PubChem CID159869795
Molecular FormulaC88H114ClF3N34O13
Molecular Weight1948.55 g/mol
Exact Mass1946.89
IUPAC Name3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one
SMILESCOc1cccnc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(N)CC2)n1.NC1CCC(CNc2nc(NCc3ccc[nH]c3=O)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3cccnc3C(F)(F)F)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3ncccc3Cl)ncc2[N+](=O)[O-])CC1.N[C@@H]1CC[C@@H](CNc2nc(NCc3ccccc3)ncc2[N+](=O)[O-])CC1=O
InChIInChI=1S/C18H22F3N7O2.C18H25N7O3.C18H22N6O3.C17H22ClN7O2.C17H23N7O3/c19-18(20,21)15-12(2-1-7-23-15)9-25-17-26-10-14(28(29)30)16(27-17)24-8-11-3-5-13(22)6-4-11;1-28-16-3-2-8-20-14(16)10-22-18-23-11-15(25(26)27)17(24-18)21-9-12-4-6-13(19)7-5-12;19-14-7-6-13(8-16(14)25)10-20-17-15(24(26)27)11-22-18(23-17)21-9-12-4-2-1-3-5-12;18-13-2-1-7-20-14(13)9-22-17-23-10-15(25(26)27)16(24-17)21-8-11-3-5-12(19)6-4-11;18-13-5-3-11(4-6-13)8-20-15-14(24(26)27)10-22-17(23-15)21-9-12-2-1-7-19-16(12)25/h1-2,7,10-11,13H,3-6,8-9,22H2,(H2,24,25,26,27);2-3,8,11-13H,4-7,9-10,19H2,1H3,(H2,21,22,23,24);1-5,11,13-14H,6-10,19H2,(H2,20,21,22,23);1-2,7,10-12H,3-6,8-9,19H2,(H2,21,22,23,24);1-2,7,10-11,13H,3-6,8-9,18H2,(H,19,25)(H2,20,21,22,23)/t;;13-,14-;;/m..1../s1
InChIKeyNSETYHCOAMGTPN-OFMOVYBOSA-N
XLogP12.36
TPSA692.83 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.55
LogP ≤ 512.36
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one 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

3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 157740422
5-Azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158974390
N-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]pyridine-4-carboxamide;N-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]-2-pyridin-2-ylacetamide;N-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]-2-pyridin-3-ylacetamide;N-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]-2-pyridin-4-ylacetamide
CID 159183500
4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-5-chloro-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(2-methoxy-3-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(4-methoxy-3-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;2-N-[[5-chloro-2-(trifluoromethoxy)phenyl]methyl]-5-nitro-4-N-[(4-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 160569052
4-N-[[4-[(4-chloro-1-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;4-N-[[4-[(3,5-dichloro-4-pyridinyl)methylamino]cyclohexyl]methyl]-5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine;2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]acetamide;5-nitro-2-N-[[2-(trifluoromethoxy)phenyl]methyl]-4-N-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidine-2,4-diamine
CID 160890726
4-N-[(4-aminocyclohexyl)methyl]-2-N-[(2-methyl-3-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;(2S)-N,N-dimethyl-1-[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]pyrrolidine-2-carboxamide;bis((2S)-2-[[4-[[[5-nitro-2-[[2-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]methyl]cyclohexyl]amino]-3-phenylpropanamide)
CID 161894868
Bis[7-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-6-(2-fluoro-6-methoxyphenyl)-3-nitro-2-oxo-1,5-naphthyridin-4-yl] piperazine-1,3-dicarboxylate
CID 175274608
1-[2-[[2-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(3-chloro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[4-fluoro-2-[[2-(5-methoxy-2-methylanilino)-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-fluoro-6-[[2-[(2-methoxy-5-methyl-4-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-3-methylphenyl]but-3-en-2-one;5-methyl-4-[[5-methyl-4-[4-methyl-2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]-1H-pyridin-2-one
CID 159187547
1-[2-[[5-Chloro-2-[(2-chloro-6-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[5-chloro-2-[(2-methoxy-5-methyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-ethylphenyl]but-3-en-2-one;1-[2-[[5-chloro-2-[(5-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[5-chloro-2-[(2-methoxy-5-methyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;1-[2-[[5-chloro-2-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;formamide
CID 161105239
1-[2-[[2-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(3-chloro-6-methoxy-2-pyridinyl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-fluoro-6-[[2-(5-methoxy-2-methylanilino)-5-methylpyrimidin-4-yl]amino]-3-methylphenyl]but-3-en-2-one;1-[4-fluoro-2-[[2-(5-methoxy-2-methylanilino)-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;5-methyl-4-[[5-methyl-4-[4-methyl-2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]-1H-pyridin-2-one
CID 161576963

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one (CID 159869795) is 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one is COc1cccnc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(N)CC2)n1.NC1CCC(CNc2nc(NCc3ccc[nH]c3=O)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3cccnc3C(F)(F)F)ncc2[N+](=O)[O-])CC1.NC1CCC(CNc2nc(NCc3ncccc3Cl)ncc2[N+](=O)[O-])CC1.N[C@@H]1CC[C@@H](CNc2nc(NCc3ccccc3)ncc2[N+](=O)[O-])CC1=O.
What is the InChIKey of 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one?
The InChIKey is NSETYHCOAMGTPN-OFMOVYBOSA-N. The full InChI is InChI=1S/C18H22F3N7O2.C18H25N7O3.C18H22N6O3.C17H22ClN7O2.C17H23N7O3/c19-18(20,21)15-12(2-1-7-23-15)9-25-17-26-10-14(28(29)30)16(27-17)24-8-11-3-5-13(22)6-4-11;1-28-16-3-2-8-20-14(16)10-22-18-23-11-15(25(26)27)17(24-18)21-9-12-4-6-13(19)7-5-12;19-14-7-6-13(8-16(14)25)10-20-17-15(24(26)27)11-22-18(23-17)21-9-12-4-2-1-3-5-12;18-13-2-1-7-20-14(13)9-22-17-23-10-15(25(26)27)16(24-17)21-8-11-3-5-12(19)6-4-11;18-13-5-3-11(4-6-13)8-20-15-14(24(26)27)10-22-17(23-15)21-9-12-2-1-7-19-16(12)25/h1-2,7,10-11,13H,3-6,8-9,22H2,(H2,24,25,26,27);2-3,8,11-13H,4-7,9-10,19H2,1H3,(H2,21,22,23,24);1-5,11,13-14H,6-10,19H2,(H2,20,21,22,23);1-2,7,10-12H,3-6,8-9,19H2,(H2,21,22,23,24);1-2,7,10-11,13H,3-6,8-9,18H2,(H,19,25)(H2,20,21,22,23)/t;;13-,14-;;/m..1../s1.
What are the key properties of 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one?
3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one has a molecular weight of 1948.55 g/mol, XLogP of 12.36, 36 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-methoxy-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine;trans-(2R,5R)-2-amino-5-[[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 159869795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).