N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen

C103H107F5N16O9 — CID 159961107

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
SMILESCC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCO2.CC(C)N(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(F)cc2)nc1-c1ccccc1F.COc1ccc(N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)cc1.Cc1nc(N2CCCCC2)nc(-c2ccccc2F)c1C(=O)N(c1ccccc1)C(C)C.[H][H]
InChIInChI=1S/C27H24F2N4O.C26H29FN4O.C25H25FN4O4.C25H27FN4O3.H2/c1-18(2)33(17-19-8-4-3-5-9-19)26(34)23-16-30-27(31-21-14-12-20(28)13-15-21)32-25(23)22-10-6-7-11-24(22)29;1-18(2)31(20-12-6-4-7-13-20)25(32)23-19(3)28-26(30-16-10-5-11-17-30)29-24(23)21-14-8-9-15-22(21)27;1-16(2)30(17-7-8-21-22(13-17)34-15-33-21)24(31)19-14-27-25(29-9-11-32-12-10-29)28-23(19)18-5-3-4-6-20(18)26;1-17(2)30(18-8-10-19(32-3)11-9-18)24(31)21-16-27-25(29-12-14-33-15-13-29)28-23(21)20-6-4-5-7-22(20)26;/h3-16,18H,17H2,1-2H3,(H,30,31,32);4,6-9,12-15,18H,5,10-11,16-17H2,1-3H3;3-8,13-14,16H,9-12,15H2,1-2H3;4-11,16-17H,12-15H2,1-3H3;1H
InChIKeyODINKBRDKLBOHV-UHFFFAOYSA-N
MW1808.08 g/mol
LogP20.19
Rot. Bonds23

About N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen

N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 159961107) has the molecular formula C103H107F5N16O9 and a molecular weight of 1808.08 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
PubChem CID159961107
Molecular FormulaC103H107F5N16O9
Molecular Weight1808.08 g/mol
Exact Mass1806.83
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen
SMILESCC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCO2.CC(C)N(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(F)cc2)nc1-c1ccccc1F.COc1ccc(N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)cc1.Cc1nc(N2CCCCC2)nc(-c2ccccc2F)c1C(=O)N(c1ccccc1)C(C)C.[H][H]
InChIInChI=1S/C27H24F2N4O.C26H29FN4O.C25H25FN4O4.C25H27FN4O3.H2/c1-18(2)33(17-19-8-4-3-5-9-19)26(34)23-16-30-27(31-21-14-12-20(28)13-15-21)32-25(23)22-10-6-7-11-24(22)29;1-18(2)31(20-12-6-4-7-13-20)25(32)23-19(3)28-26(30-16-10-5-11-17-30)29-24(23)21-14-8-9-15-22(21)27;1-16(2)30(17-7-8-21-22(13-17)34-15-33-21)24(31)19-14-27-25(29-9-11-32-12-10-29)28-23(19)18-5-3-4-6-20(18)26;1-17(2)30(18-8-10-19(32-3)11-9-18)24(31)21-16-27-25(29-12-14-33-15-13-29)28-23(21)20-6-4-5-7-22(20)26;/h3-16,18H,17H2,1-2H3,(H,30,31,32);4,6-9,12-15,18H,5,10-11,16-17H2,1-3H3;3-8,13-14,16H,9-12,15H2,1-2H3;4-11,16-17H,12-15H2,1-3H3;1H
InChIKeyODINKBRDKLBOHV-UHFFFAOYSA-N
XLogP20.19
TPSA252.26 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001808.08
LogP ≤ 520.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen with MolForge

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Related Compounds

(4-(Benzo[d][1,3]dioxol-5-ylamino)-7-methyl-1,8-naphthyridin-3-yl)(4-methylpiperidin-1-yl)methanone
CID 49660702
[4-(1,3-benzodioxol-5-ylamino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 52313202
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 11518575
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421141
2-(1,3-benzodioxol-5-ylamino)-N-benzyl-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421170
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide
CID 59421208
4,4-dimethyl-3,3-bis[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]-N-[2-(phenylcarbamoyl)phenyl]-2-piperidin-1-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
CID 87220083
4,4-dimethyl-3,3-bis[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-[3-[[(2R)-2-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]-N-[2-(phenylcarbamoyl)phenyl]-2-piperidin-1-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
CID 87801664
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
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
1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-[4-[(3R)-oxolan-3-yl]oxyanilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-1-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;N-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 158650901
4-N-(1,3-benzodioxol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;1-[3-[[2-(4-dimethylphosphorylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone;2-N-(4-dimethylphosphorylphenyl)-4-N-pentan-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 158981656

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen (CID 159961107) is N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen is CC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCO2.CC(C)N(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(F)cc2)nc1-c1ccccc1F.COc1ccc(N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)C(C)C)cc1.Cc1nc(N2CCCCC2)nc(-c2ccccc2F)c1C(=O)N(c1ccccc1)C(C)C.[H][H].
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is ODINKBRDKLBOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O.C26H29FN4O.C25H25FN4O4.C25H27FN4O3.H2/c1-18(2)33(17-19-8-4-3-5-9-19)26(34)23-16-30-27(31-21-14-12-20(28)13-15-21)32-25(23)22-10-6-7-11-24(22)29;1-18(2)31(20-12-6-4-7-13-20)25(32)23-19(3)28-26(30-16-10-5-11-17-30)29-24(23)21-14-8-9-15-22(21)27;1-16(2)30(17-7-8-21-22(13-17)34-15-33-21)24(31)19-14-27-25(29-9-11-32-12-10-29)28-23(19)18-5-3-4-6-20(18)26;1-17(2)30(18-8-10-19(32-3)11-9-18)24(31)21-16-27-25(29-12-14-33-15-13-29)28-23(21)20-6-4-5-7-22(20)26;/h3-16,18H,17H2,1-2H3,(H,30,31,32);4,6-9,12-15,18H,5,10-11,16-17H2,1-3H3;3-8,13-14,16H,9-12,15H2,1-2H3;4-11,16-17H,12-15H2,1-3H3;1H.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen?
N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 1808.08 g/mol, XLogP of 20.19, 23 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;N-benzyl-2-(4-fluoroanilino)-4-(2-fluorophenyl)-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-N-(4-methoxyphenyl)-2-morpholin-4-yl-N-propan-2-ylpyrimidine-5-carboxamide;4-(2-fluorophenyl)-6-methyl-N-phenyl-2-piperidin-1-yl-N-propan-2-ylpyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 159961107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).