N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide

C19H23N5O2 — CID 109363196

IUPACN-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NC3CCCC3)nc(C)n2)c1
InChIInChI=1S/C19H23N5O2/c1-12-20-17(11-18(21-12)23-14-6-3-4-7-14)19(26)24-16-9-5-8-15(10-16)22-13(2)25/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyZLQBUANVYAZVHH-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.35
Rot. Bonds5

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

N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363196) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109363196
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NC3CCCC3)nc(C)n2)c1
InChIInChI=1S/C19H23N5O2/c1-12-20-17(11-18(21-12)23-14-6-3-4-7-14)19(26)24-16-9-5-8-15(10-16)22-13(2)25/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,22,25)(H,24,26)(H,20,21,23)
InChIKeyZLQBUANVYAZVHH-UHFFFAOYSA-N
XLogP3.35
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide (CID 109363196) is N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(NC3CCCC3)nc(C)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is ZLQBUANVYAZVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-20-17(11-18(21-12)23-14-6-3-4-7-14)19(26)24-16-9-5-8-15(10-16)22-13(2)25/h5,8-11,14H,3-4,6-7H2,1-2H3,(H,22,25)(H,24,26)(H,20,21,23).
What are the key properties of N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).