6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

C18H13ClF2N4O — CID 109348749

IUPAC6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(NCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H13ClF2N4O/c19-12-6-4-11(5-7-12)9-22-16-8-15(23-10-24-16)18(26)25-17-13(20)2-1-3-14(17)21/h1-8,10H,9H2,(H,25,26)(H,22,23,24)
InChIKeyBZTOZUUMRVVCDB-UHFFFAOYSA-N
MW374.78 g/mol
LogP4.27
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109348749) has the molecular formula C18H13ClF2N4O and a molecular weight of 374.78 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109348749
Molecular FormulaC18H13ClF2N4O
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cc(NCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H13ClF2N4O/c19-12-6-4-11(5-7-12)9-22-16-8-15(23-10-24-16)18(26)25-17-13(20)2-1-3-14(17)21/h1-8,10H,9H2,(H,25,26)(H,22,23,24)
InChIKeyBZTOZUUMRVVCDB-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348320
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
N-(2,6-difluorophenyl)-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346291
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
CID 109348691
N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109352406
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide (CID 109348749) is 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1c(F)cccc1F)c1cc(NCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BZTOZUUMRVVCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O/c19-12-6-4-11(5-7-12)9-22-16-8-15(23-10-24-16)18(26)25-17-13(20)2-1-3-14(17)21/h1-8,10H,9H2,(H,25,26)(H,22,23,24).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).