6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide

C15H14Cl2N4O — CID 109360943

IUPAC6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H14Cl2N4O/c1-8-18-13(7-14(19-8)20-9-2-3-9)15(22)21-10-4-5-11(16)12(17)6-10/h4-7,9H,2-3H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyRMCNCTVESKZDGS-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.92
Rot. Bonds4

About 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide

6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109360943) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109360943
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H14Cl2N4O/c1-8-18-13(7-14(19-8)20-9-2-3-9)15(22)21-10-4-5-11(16)12(17)6-10/h4-7,9H,2-3H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyRMCNCTVESKZDGS-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360889
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360950
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide (CID 109360943) is 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NC2CC2)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is RMCNCTVESKZDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-8-18-13(7-14(19-8)20-9-2-3-9)15(22)21-10-4-5-11(16)12(17)6-10/h4-7,9H,2-3H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 337.21 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).