N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109347996

IUPACN-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C19H16Cl2N4O/c1-25(11-13-6-3-2-4-7-13)19(26)16-10-17(23-12-22-16)24-15-9-5-8-14(20)18(15)21/h2-10,12H,11H2,1H3,(H,22,23,24)
InChIKeyDXIJDPWHQUJVOI-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.80
Rot. Bonds5

About N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide

N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109347996) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109347996
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C19H16Cl2N4O/c1-25(11-13-6-3-2-4-7-13)19(26)16-10-17(23-12-22-16)24-15-9-5-8-14(20)18(15)21/h2-10,12H,11H2,1H3,(H,22,23,24)
InChIKeyDXIJDPWHQUJVOI-UHFFFAOYSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(3-chloro-4-methoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109347955
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109347942
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-benzyl-6-(4-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109347946
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
N-benzyl-6-(3-chloro-2-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369504
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350591

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide (CID 109347996) is N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(Nc2cccc(Cl)c2Cl)ncn1.
What is the InChIKey of N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is DXIJDPWHQUJVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-25(11-13-6-3-2-4-7-13)19(26)16-10-17(23-12-22-16)24-15-9-5-8-14(20)18(15)21/h2-10,12H,11H2,1H3,(H,22,23,24).
What are the key properties of N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide?
N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,3-dichloroanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109347996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).