N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109348624

IUPACN-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ncn2)c1C
InChIInChI=1S/C20H19ClN4O/c1-13-6-5-9-17(14(13)2)25-19-10-18(23-12-24-19)20(26)22-11-15-7-3-4-8-16(15)21/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCXPNQUSWAQUPNC-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109348624) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109348624
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ncn2)c1C
InChIInChI=1S/C20H19ClN4O/c1-13-6-5-9-17(14(13)2)25-19-10-18(23-12-24-19)20(26)22-11-15-7-3-4-8-16(15)21/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCXPNQUSWAQUPNC-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109348620
6-(2,3-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347442
6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348243
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
6-(2,3-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351251
methyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109346993
6-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346387
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350591
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116
5-(2,3-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280014
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346955

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide (CID 109348624) is N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NCc3ccccc3Cl)ncn2)c1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is CXPNQUSWAQUPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-6-5-9-17(14(13)2)25-19-10-18(23-12-24-19)20(26)22-11-15-7-3-4-8-16(15)21/h3-10,12H,11H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109348624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).