6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C19H24N4O2 — CID 109363881

IUPAC6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-20-17(12-18(21-13)22-14-6-4-3-5-7-14)19(24)23-15-8-10-16(25-2)11-9-15/h8-12,14H,3-7H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyRJOPDSIFQWBBJU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.79
Rot. Bonds5

About 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363881) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109363881
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-13-20-17(12-18(21-13)22-14-6-4-3-5-7-14)19(24)23-15-8-10-16(25-2)11-9-15/h8-12,14H,3-7H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyRJOPDSIFQWBBJU-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
5-(cyclohexylamino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109274938
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
N-(3-chloro-4-methoxyphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360889
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365780
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 109363881) is 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(NC3CCCCC3)nc(C)n2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is RJOPDSIFQWBBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-20-17(12-18(21-13)22-14-6-4-3-5-7-14)19(24)23-15-8-10-16(25-2)11-9-15/h8-12,14H,3-7H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).