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

C16H18N4O2 — CID 109360895

IUPAC6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC3CC3)nc(C)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-10-17-14(9-15(18-10)19-11-3-4-11)16(21)20-12-5-7-13(22-2)8-6-12/h5-9,11H,3-4H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyMDQLYAQMJNBNKC-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.62
Rot. Bonds5

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

6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109360895) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109360895
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC3CC3)nc(C)n2)cc1
InChIInChI=1S/C16H18N4O2/c1-10-17-14(9-15(18-10)19-11-3-4-11)16(21)20-12-5-7-13(22-2)8-6-12/h5-9,11H,3-4H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyMDQLYAQMJNBNKC-UHFFFAOYSA-N
XLogP2.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
N-(3-chloro-4-methoxyphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360889
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850129
N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365780
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360950

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 109360895) is 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(NC3CC3)nc(C)n2)cc1.
What is the InChIKey of 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is MDQLYAQMJNBNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-17-14(9-15(18-10)19-11-3-4-11)16(21)20-12-5-7-13(22-2)8-6-12/h5-9,11H,3-4H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).