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

C82H91ClF2N12O7 — CID 160700171

IUPACN-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
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1Cl.COc1cccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1.COc1cccc(CN(C(=O)c2cnc(NC(C)c3ccccc3)nc2-c2ccccc2F)C(C)C)c1.[H][H]
InChIInChI=1S/C30H31FN4O2.C27H31FN4O3.C25H27ClN4O2.H2/c1-20(2)35(19-22-11-10-14-24(17-22)37-4)29(36)26-18-32-30(33-21(3)23-12-6-5-7-13-23)34-28(26)25-15-8-9-16-27(25)31;1-18(2)32(17-20-8-7-9-21(16-20)34-4)26(33)24-19(3)29-27(31-12-14-35-15-13-31)30-25(24)22-10-5-6-11-23(22)28;1-18(2)30(17-19-8-4-3-5-9-19)24(31)21-16-27-25(29-12-14-32-15-13-29)28-23(21)20-10-6-7-11-22(20)26;/h5-18,20-21H,19H2,1-4H3,(H,32,33,34);5-11,16,18H,12-15,17H2,1-4H3;3-11,16,18H,12-15,17H2,1-2H3;1H
InChIKeyRQNABSXJTAMOCG-UHFFFAOYSA-N
MW1430.16 g/mol
LogP15.93
Rot. Bonds22

About 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

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 (PubChem CID 160700171) has the molecular formula C82H91ClF2N12O7 and a molecular weight of 1430.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID160700171
Molecular FormulaC82H91ClF2N12O7
Molecular Weight1430.16 g/mol
Exact Mass1428.68
IUPAC NameN-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
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1Cl.COc1cccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1.COc1cccc(CN(C(=O)c2cnc(NC(C)c3ccccc3)nc2-c2ccccc2F)C(C)C)c1.[H][H]
InChIInChI=1S/C30H31FN4O2.C27H31FN4O3.C25H27ClN4O2.H2/c1-20(2)35(19-22-11-10-14-24(17-22)37-4)29(36)26-18-32-30(33-21(3)23-12-6-5-7-13-23)34-28(26)25-15-8-9-16-27(25)31;1-18(2)32(17-20-8-7-9-21(16-20)34-4)26(33)24-19(3)29-27(31-12-14-35-15-13-31)30-25(24)22-10-5-6-11-23(22)28;1-18(2)30(17-19-8-4-3-5-9-19)24(31)21-16-27-25(29-12-14-32-15-13-29)28-23(21)20-10-6-7-11-22(20)26;/h5-18,20-21H,19H2,1-4H3,(H,32,33,34);5-11,16,18H,12-15,17H2,1-4H3;3-11,16,18H,12-15,17H2,1-2H3;1H
InChIKeyRQNABSXJTAMOCG-UHFFFAOYSA-N
XLogP15.93
TPSA193.70 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.16
LogP ≤ 515.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-(1-phenylethylamino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 11713034
4-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421140
6-(3-fluorophenyl)-N-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267716
Methyl 4-fluoro-3-[2-[2-[4-[5-[4-fluoro-3-[2-[2-[4-[5-[2-[[4-fluoro-3-methoxy-5-[2-[2-[4-(2-oxopiperidin-1-yl)anilino]pyrimidin-5-yl]ethyl]benzoyl]amino]ethyl]-2-oxopiperidin-1-yl]anilino]pyrimidin-5-yl]ethyl]-5-methoxybenzoyl]oxy-2-oxopiperidin-1-yl]anilino]pyrimidin-5-yl]ethyl]-5-methoxybenzoate
CID 123373229
CID 157229239
CID 157229239
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;4-fluoro-2-methoxyaniline;bis(2-[[2-(4-fluoro-2-methoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide)
CID 157473551
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;N-[1-(2-cyclopropylethyl)piperidin-4-yl]-N,2,2-trimethylpropanamide;2,2-dimethyl-N-(1-phenylpiperidin-4-yl)propanamide;2,2-dimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;N-ethyl-2,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2-methylpropanamide;N-[1-(2-methoxyethyl)piperidin-4-yl]-N,2-dimethylpropanamide;N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 158019662
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;6-(3,6-dihydro-2H-pyran-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-methyl-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(oxan-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158191028
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158377546
2-(2-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(2-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;2-(3-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-2-ylacetamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 158424301
N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158573006
2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;1-benzyl-1-methylguanidine;hydrochloride
CID 159074403

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1Cl.COc1cccc(CN(C(=O)c2c(C)nc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)c1.COc1cccc(CN(C(=O)c2cnc(NC(C)c3ccccc3)nc2-c2ccccc2F)C(C)C)c1.[H][H].
What is the InChIKey of 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?
The InChIKey is RQNABSXJTAMOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2.C27H31FN4O3.C25H27ClN4O2.H2/c1-20(2)35(19-22-11-10-14-24(17-22)37-4)29(36)26-18-32-30(33-21(3)23-12-6-5-7-13-23)34-28(26)25-15-8-9-16-27(25)31;1-18(2)32(17-20-8-7-9-21(16-20)34-4)26(33)24-19(3)29-27(31-12-14-35-15-13-31)30-25(24)22-10-5-6-11-23(22)28;1-18(2)30(17-19-8-4-3-5-9-19)24(31)21-16-27-25(29-12-14-32-15-13-29)28-23(21)20-10-6-7-11-22(20)26;/h5-18,20-21H,19H2,1-4H3,(H,32,33,34);5-11,16,18H,12-15,17H2,1-4H3;3-11,16,18H,12-15,17H2,1-2H3;1H.
What are the key properties of 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?
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 has a molecular weight of 1430.16 g/mol, XLogP of 15.93, 22 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160700171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).