N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide

C19H16ClFN4O — CID 109369606

IUPACN-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2F)cc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClFN4O/c1-12-23-17(19(26)25-15-8-6-14(20)7-9-15)10-18(24-12)22-11-13-4-2-3-5-16(13)21/h2-10H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyVTTFQVOQPIMIAU-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.44
Rot. Bonds5

About N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide

N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109369606) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109369606
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC NameN-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccc2F)cc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClFN4O/c1-12-23-17(19(26)25-15-8-6-14(20)7-9-15)10-18(24-12)22-11-13-4-2-3-5-16(13)21/h2-10H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyVTTFQVOQPIMIAU-UHFFFAOYSA-N
XLogP4.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109369598
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
N-(2,3-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369592
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371822
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(4-ethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371808
N-(3-chloro-4-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368566
6-(tert-butylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369670
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132
N-(5-chloro-2-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368564
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide (CID 109369606) is N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccccc2F)cc(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is VTTFQVOQPIMIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-12-23-17(19(26)25-15-8-6-14(20)7-9-15)10-18(24-12)22-11-13-4-2-3-5-16(13)21/h2-10H,11H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).