N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen

C70H82ClF2N13O6 — CID 158150698

IUPACN-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen
SMILESCCC(C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1F.COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1.COc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.[H][H].[H][H]
InChIInChI=1S/C24H25FN4O3.C23H24ClFN4O.C23H29N5O2.2H2/c1-31-21-9-5-2-6-17(21)10-11-26-23(30)19-16-27-24(29-12-14-32-15-13-29)28-22(19)18-7-3-4-8-20(18)25;1-3-15(2)28-22(30)19-14-27-23(26-13-12-16-8-10-17(24)11-9-16)29-21(19)18-6-4-5-7-20(18)25;1-28(19-7-4-3-5-8-19)22(29)20-16-26-23(25-13-6-14-30-2)27-21(20)18-11-9-17(15-24)10-12-18;;/h2-9,16H,10-15H2,1H3,(H,26,30);4-11,14-15H,3,12-13H2,1-2H3,(H,28,30)(H,26,27,29);9-12,16,19H,3-8,13-14H2,1-2H3,(H,25,26,27);2*1H
InChIKeyFVBLQAOEPRFLSJ-UHFFFAOYSA-N
MW1274.96 g/mol
LogP12.58
Rot. Bonds23

About N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen

N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 158150698) has the molecular formula C70H82ClF2N13O6 and a molecular weight of 1274.96 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen
PubChem CID158150698
Molecular FormulaC70H82ClF2N13O6
Molecular Weight1274.96 g/mol
Exact Mass1273.62
IUPAC NameN-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen
SMILESCCC(C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1F.COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1.COc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.[H][H].[H][H]
InChIInChI=1S/C24H25FN4O3.C23H24ClFN4O.C23H29N5O2.2H2/c1-31-21-9-5-2-6-17(21)10-11-26-23(30)19-16-27-24(29-12-14-32-15-13-29)28-22(19)18-7-3-4-8-20(18)25;1-3-15(2)28-22(30)19-14-27-23(26-13-12-16-8-10-17(24)11-9-16)29-21(19)18-6-4-5-7-20(18)25;1-28(19-7-4-3-5-8-19)22(29)20-16-26-23(25-13-6-14-30-2)27-21(20)18-11-9-17(15-24)10-12-18;;/h2-9,16H,10-15H2,1H3,(H,26,30);4-11,14-15H,3,12-13H2,1-2H3,(H,28,30)(H,26,27,29);9-12,16,19H,3-8,13-14H2,1-2H3,(H,25,26,27);2*1H
InChIKeyFVBLQAOEPRFLSJ-UHFFFAOYSA-N
XLogP12.58
TPSA234.63 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.96
LogP ≤ 512.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen 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

4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421229
6-chloro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1-cyanocyclobutyl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-cyanooxan-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-cyanopropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;2-fluoro-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160182656
(2R)-N-[(2S)-1-amino-2-[[2-(benzylamino)pyrimidin-4-yl]-(cyanomethyl)amino]-1-oxo-3-phenylpropan-2-yl]-2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-(cyanomethyl)amino]-N-[cyano-(2-methoxyphenyl)methyl]-3-cyclohexyl-2-(2-morpholin-4-ylpyrimidin-4-yl)propanamide;(2S)-2-[[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(cyanomethyl)amino]-3-phenylpropanamide
CID 87958713
N-benzyl-N-ethyl-4-(2-fluorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide;2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-2-(cyclopentylamino)-N-ethyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide;N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methyl-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen
CID 157056466
N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 157188937
N-benzyl-2-(cyclopropylmethylamino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-[(2,6-dimethoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide;N-cyclohexyl-4-(2-fluorophenyl)-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide;[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-morpholin-4-ylmethanone;molecular hydrogen
CID 157686372
1-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[1-(4-chloro-2-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(5-chloro-2-fluorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(2-fluoro-3-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(2-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[1-(3-fluoro-5-methoxyphenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;4-[2-hydroxy-1-[4-[2-(oxan-4-ylamino)pyrimidin-4-yl]-2-oxo-1-pyridinyl]ethyl]-2-methoxybenzonitrile
CID 158867200
2-(butan-2-ylamino)-4-(2-fluorophenyl)-N-(2-methylcyclohexyl)pyrimidine-5-carboxamide;2-[(2,6-dimethoxyphenyl)methylamino]-4-(2-fluorophenyl)-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(2-methylcyclohexyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;N-[2-[[5-(4-methylpiperidine-1-carbonyl)-4-(4-phenylphenyl)pyrimidin-2-yl]amino]ethyl]acetamide;molecular hydrogen
CID 159813355
5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide;5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[2-(3,4-difluorophenoxy)ethyl]pyridine-3-carboxamide;5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide;methanimidoyl 5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyridine-3-carboximidate
CID 160038849
N-(1-acetylpiperidin-4-yl)-4-propan-2-ylbenzamide;1-chloro-4-propan-2-ylbenzene;(3-fluoro-4-propan-2-ylphenyl)-morpholin-4-ylmethanone;methyl 4-[(4-propan-2-yl-2-pyridinyl)oxy]piperidine-1-carboxylate;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-(oxan-4-yloxy)-4-propan-2-ylpyridine;N-(oxan-4-yl)-4-propan-2-ylbenzamide;2-piperidin-4-yloxy-4-propan-2-ylpyridine;1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 160568999
N-benzyl-4-(2-chlorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-(1-phenylethylamino)-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
CID 160700171
N-benzyl-2-(3-carbamoylpiperidin-1-yl)-4-(4-cyanophenyl)-N-ethylpyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(2-methoxyethylamino)-N-methylpyrimidine-5-carboxamide;2-(cyclopropylmethylamino)-N-(3-methoxypropyl)-4-(3-methylphenyl)pyrimidine-5-carboxamide;2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)-4-(3-methylphenyl)pyrimidine-5-carboxamide;molecular hydrogen
CID 161525137

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen (CID 158150698) is N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen is CCC(C)NC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1F.COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1.COc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F.[H][H].[H][H].
What is the InChIKey of N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is FVBLQAOEPRFLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3.C23H24ClFN4O.C23H29N5O2.2H2/c1-31-21-9-5-2-6-17(21)10-11-26-23(30)19-16-27-24(29-12-14-32-15-13-29)28-22(19)18-7-3-4-8-20(18)25;1-3-15(2)28-22(30)19-14-27-23(26-13-12-16-8-10-17(24)11-9-16)29-21(19)18-6-4-5-7-20(18)25;1-28(19-7-4-3-5-8-19)22(29)20-16-26-23(25-13-6-14-30-2)27-21(20)18-11-9-17(15-24)10-12-18;;/h2-9,16H,10-15H2,1H3,(H,26,30);4-11,14-15H,3,12-13H2,1-2H3,(H,28,30)(H,26,27,29);9-12,16,19H,3-8,13-14H2,1-2H3,(H,25,26,27);2*1H.
What are the key properties of N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen?
N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 1274.96 g/mol, XLogP of 12.58, 23 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(4-chlorophenyl)ethylamino]-4-(2-fluorophenyl)pyrimidine-5-carboxamide;4-(4-cyanophenyl)-N-cyclohexyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 158150698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).