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

C17H18Cl2N4O — CID 109363233

IUPAC6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCC2)cc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H18Cl2N4O/c1-10-20-14(9-15(21-10)22-11-5-2-3-6-11)17(24)23-13-8-4-7-12(18)16(13)19/h4,7-9,11H,2-3,5-6H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyXQLXGMVFKXMHDF-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.70
Rot. Bonds4

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

6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363233) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109363233
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCC2)cc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H18Cl2N4O/c1-10-20-14(9-15(21-10)22-11-5-2-3-6-11)17(24)23-13-8-4-7-12(18)16(13)19/h4,7-9,11H,2-3,5-6H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyXQLXGMVFKXMHDF-UHFFFAOYSA-N
XLogP4.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109373956
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109361144
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298020
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
4-(cyclohexylamino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109205054
6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109360904
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide (CID 109363233) is 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NC2CCCC2)cc(C(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is XQLXGMVFKXMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-10-20-14(9-15(21-10)22-11-5-2-3-6-11)17(24)23-13-8-4-7-12(18)16(13)19/h4,7-9,11H,2-3,5-6H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).