N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide

C27H22F7N5O — CID 162250348

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide
SMILESCc1cc(F)ccc1-c1nc(N2C=CN(C)C=C2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H22F7N5O/c1-16-10-20(28)4-5-21(16)23-22(14-35-25(36-23)39-8-6-37(2)7-9-39)24(40)38(3)15-17-11-18(26(29,30)31)13-19(12-17)27(32,33)34/h4-14H,15H2,1-3H3
InChIKeyZXXBMHFIIVMJGB-UHFFFAOYSA-N
MW565.49 g/mol
LogP6.60
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 162250348) has the molecular formula C27H22F7N5O and a molecular weight of 565.49 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide
PubChem CID162250348
Molecular FormulaC27H22F7N5O
Molecular Weight565.49 g/mol
Exact Mass565.17
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide
SMILESCc1cc(F)ccc1-c1nc(N2C=CN(C)C=C2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H22F7N5O/c1-16-10-20(28)4-5-21(16)23-22(14-35-25(36-23)39-8-6-37(2)7-9-39)24(40)38(3)15-17-11-18(26(29,30)31)13-19(12-17)27(32,33)34/h4-14H,15H2,1-3H3
InChIKeyZXXBMHFIIVMJGB-UHFFFAOYSA-N
XLogP6.60
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.49
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-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

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 54423825
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chloro-4-fluorophenyl)-N-methyl-2-piperazin-1-ylpyrimidine-5-carboxamide;piperazine
CID 162250393
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chloro-4-fluorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide
CID 54508601
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-fluoro-2-methylphenyl)-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 54277578
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-(4-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 57072098
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylbenzamide;1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
CID 172846693
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-methoxyphenyl)-N-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 54174725
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-(2-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 57025212
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-bromophenyl)-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 54231163
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chlorophenyl)-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 54299681
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluorophenoxy)-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 91604342
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(2-chlorophenyl)-N-methyl-2-methylsulfonylpyrimidine-5-carboxamide
CID 54009887

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide (CID 162250348) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide is Cc1cc(F)ccc1-c1nc(N2C=CN(C)C=C2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is ZXXBMHFIIVMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F7N5O/c1-16-10-20(28)4-5-21(16)23-22(14-35-25(36-23)39-8-6-37(2)7-9-39)24(40)38(3)15-17-11-18(26(29,30)31)13-19(12-17)27(32,33)34/h4-14H,15H2,1-3H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 565.49 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-fluoro-2-methylphenyl)-N-methyl-2-(4-methylpyrazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 162250348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).