6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide

C18H15ClN4O — CID 109346545

IUPAC6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H15ClN4O/c19-14-8-4-5-9-15(14)23-18(24)16-10-17(22-12-21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)(H,20,21,22)
InChIKeySNOLCCFRGIAUKE-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

About 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide

6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109346545) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
PubChem CID109346545
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H15ClN4O/c19-14-8-4-5-9-15(14)23-18(24)16-10-17(22-12-21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)(H,20,21,22)
InChIKeySNOLCCFRGIAUKE-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349914
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide (CID 109346545) is 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccccc1Cl)c1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is SNOLCCFRGIAUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-8-4-5-9-15(14)23-18(24)16-10-17(22-12-21-16)20-11-13-6-2-1-3-7-13/h1-10,12H,11H2,(H,23,24)(H,20,21,22).
What are the key properties of 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).