N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide

C69H73F4N9O5 — CID 168944510

IUPACN-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide
SMILESC=C(Nc1c(C)cc(CO)cc1C)c1nccc(-c2ccccc2C(F)(F)F)n1.CC.CCCc1cc(C)c(NC(=O)c2nccc(-c3cc(F)ccc3C)n2)c(C)c1.CCOc1ccccc1-c1ccnc(C(=O)Nc2c(C)cc(CO)cc2C)n1
InChIInChI=1S/C23H24FN3O.C22H20F3N3O.C22H23N3O3.C2H6/c1-5-6-17-11-15(3)21(16(4)12-17)27-23(28)22-25-10-9-20(26-22)19-13-18(24)8-7-14(19)2;1-13-10-16(12-29)11-14(2)20(13)27-15(3)21-26-9-8-19(28-21)17-6-4-5-7-18(17)22(23,24)25;1-4-28-19-8-6-5-7-17(19)18-9-10-23-21(24-18)22(27)25-20-14(2)11-16(13-26)12-15(20)3;1-2/h7-13H,5-6H2,1-4H3,(H,27,28);4-11,27,29H,3,12H2,1-2H3;5-12,26H,4,13H2,1-3H3,(H,25,27);1-2H3
InChIKeyPNOKUVBRNAMAKI-UHFFFAOYSA-N
MW1184.39 g/mol
LogP15.70
Rot. Bonds16

About N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide

N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide (PubChem CID 168944510) has the molecular formula C69H73F4N9O5 and a molecular weight of 1184.39 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide
PubChem CID168944510
Molecular FormulaC69H73F4N9O5
Molecular Weight1184.39 g/mol
Exact Mass1183.57
IUPAC NameN-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide
SMILESC=C(Nc1c(C)cc(CO)cc1C)c1nccc(-c2ccccc2C(F)(F)F)n1.CC.CCCc1cc(C)c(NC(=O)c2nccc(-c3cc(F)ccc3C)n2)c(C)c1.CCOc1ccccc1-c1ccnc(C(=O)Nc2c(C)cc(CO)cc2C)n1
InChIInChI=1S/C23H24FN3O.C22H20F3N3O.C22H23N3O3.C2H6/c1-5-6-17-11-15(3)21(16(4)12-17)27-23(28)22-25-10-9-20(26-22)19-13-18(24)8-7-14(19)2;1-13-10-16(12-29)11-14(2)20(13)27-15(3)21-26-9-8-19(28-21)17-6-4-5-7-18(17)22(23,24)25;1-4-28-19-8-6-5-7-17(19)18-9-10-23-21(24-18)22(27)25-20-14(2)11-16(13-26)12-15(20)3;1-2/h7-13H,5-6H2,1-4H3,(H,27,28);4-11,27,29H,3,12H2,1-2H3;5-12,26H,4,13H2,1-3H3,(H,25,27);1-2H3
InChIKeyPNOKUVBRNAMAKI-UHFFFAOYSA-N
XLogP15.70
TPSA197.26 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001184.39
LogP ≤ 515.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide 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

1-[4-[7-(2-Ethoxy-6-fluorophenyl)-8-fluoro-6-methyl-2-[(pyridin-2-ylamino)methyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 122607465
N-[2-[(1S,4R)-4-amino-3-[[2-[4-[[2-(4-aminocyclohexyl)phenyl]carbamoyl]pyrimidin-2-yl]-3-fluorophenoxy]methyl]cyclohexyl]phenyl]-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139446210
ethane;2-[ethyl(methoxymethyl)amino]-1-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethanone;N-[3-[C-[4-methoxy-3-(trifluoromethyl)phenyl]-N-methylcarbonimidoyl]-4-methylphenyl]formamide
CID 143488816
N-[4-[2-amino-5-[4-[4-[2-[2-[6-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrimidin-4-yl]-5-(prop-2-ynoylamino)phenoxy]ethyl]pyrimidin-2-yl]oxy-3-fluorophenyl]pyrimidin-4-yl]-3-methoxyphenyl]-2-fluoroprop-2-enamide
CID 167248014
N-[4-(hydroxymethyl)-2,6-dimethylphenyl]-4-[2-(trifluoromethoxy)phenyl]pyrimidine-2-carboxamide
CID 168944480
[4-[1-[4-[2-[difluoro(phosphanyl)methyl]phenyl]pyrimidin-2-yl]ethenylamino]-3,5-dimethylphenyl]methanol;N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide
CID 168944589
4-[2-[difluoro(phosphanyl)methoxy]phenyl]-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide;N-(2,6-dimethyl-4-propylphenyl)-4-(3-propan-2-ylphenyl)pyrimidine-2-carboxamide
CID 168944652
4-(4,5-difluoro-2-hydroxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide
CID 168944671
4-[[5-fluoro-2-[2-[[4-(hydroxymethyl)-2,6-dimethylphenyl]carbamoyl]pyrimidin-4-yl]phenyl]methyl]-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]-6-(3-methylphenyl)pyrimidine-2-carboxamide
CID 169953954
N-[2-cyclohexa-2,4-dien-1-ylidene-1-[2-[4-fluoro-5-[[5-[5-(hydroxymethyl)-2-pyridinyl]-2-phenyl-3-pyridinyl]carbamoyl]-2-(trifluoromethyl)phenyl]pyrimidin-5-yl]-5-pyridin-2-yloxy-3-pyridinyl]-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 162596332
4-[2-[difluoro(phosphanyl)methoxy]phenyl]-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide
CID 168944653
2-[4-[[5-[[4-[3-[(3-Aminopropylamino)methyl]-4-methoxyphenyl]pyrimidin-2-yl]methyl]-2-morpholin-4-ylphenyl]methyl]piperazin-1-yl]acetic acid
CID 58102637

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide (CID 168944510) is N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide is C=C(Nc1c(C)cc(CO)cc1C)c1nccc(-c2ccccc2C(F)(F)F)n1.CC.CCCc1cc(C)c(NC(=O)c2nccc(-c3cc(F)ccc3C)n2)c(C)c1.CCOc1ccccc1-c1ccnc(C(=O)Nc2c(C)cc(CO)cc2C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide?
The InChIKey is PNOKUVBRNAMAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O.C22H20F3N3O.C22H23N3O3.C2H6/c1-5-6-17-11-15(3)21(16(4)12-17)27-23(28)22-25-10-9-20(26-22)19-13-18(24)8-7-14(19)2;1-13-10-16(12-29)11-14(2)20(13)27-15(3)21-26-9-8-19(28-21)17-6-4-5-7-18(17)22(23,24)25;1-4-28-19-8-6-5-7-17(19)18-9-10-23-21(24-18)22(27)25-20-14(2)11-16(13-26)12-15(20)3;1-2/h7-13H,5-6H2,1-4H3,(H,27,28);4-11,27,29H,3,12H2,1-2H3;5-12,26H,4,13H2,1-3H3,(H,25,27);1-2H3.
What are the key properties of N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide?
N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide has a molecular weight of 1184.39 g/mol, XLogP of 15.70, 16 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-propylphenyl)-4-(5-fluoro-2-methylphenyl)pyrimidine-2-carboxamide;[3,5-dimethyl-4-[1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]ethenylamino]phenyl]methanol;ethane;4-(2-ethoxyphenyl)-N-[4-(hydroxymethyl)-2,6-dimethylphenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 168944510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).