6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109346550

IUPAC6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C19H17ClN4O/c1-13-9-15(20)7-8-16(13)24-19(25)17-10-18(23-12-22-17)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyNGRSOAQQDPIOAF-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.30
Rot. Bonds5

About 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide

6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109346550) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109346550
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C19H17ClN4O/c1-13-9-15(20)7-8-16(13)24-19(25)17-10-18(23-12-22-17)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyNGRSOAQQDPIOAF-UHFFFAOYSA-N
XLogP4.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100
6-(benzylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109346609
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
CID 109346592

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide (CID 109346550) is 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is NGRSOAQQDPIOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-9-15(20)7-8-16(13)24-19(25)17-10-18(23-12-22-17)21-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).