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

C15H14Cl2N4O — CID 109361144

IUPACN-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2Cl)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H14Cl2N4O/c1-8-18-12(15(22)20-9-5-6-9)7-13(19-8)21-11-4-2-3-10(16)14(11)17/h2-4,7,9H,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyQJKKTOIIXAUIID-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.73
Rot. Bonds4

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

N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361144) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109361144
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC NameN-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(Cl)c2Cl)cc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H14Cl2N4O/c1-8-18-12(15(22)20-9-5-6-9)7-13(19-8)21-11-4-2-3-10(16)14(11)17/h2-4,7,9H,5-6H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyQJKKTOIIXAUIID-UHFFFAOYSA-N
XLogP3.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361130
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
2-[[6-(2,3-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194960

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide (CID 109361144) is N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(Cl)c2Cl)cc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is QJKKTOIIXAUIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-8-18-12(15(22)20-9-5-6-9)7-13(19-8)21-11-4-2-3-10(16)14(11)17/h2-4,7,9H,5-6H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide?
N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).