2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C17H20N4O — CID 109319743

IUPAC2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)nc(NC2CC2)n1
InChIInChI=1S/C17H20N4O/c1-10-5-4-6-11(2)15(10)21-16(22)14-9-12(3)18-17(20-14)19-13-7-8-13/h4-6,9,13H,7-8H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyNQBYJVVWQBJTPT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.23
Rot. Bonds4

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

2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109319743) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109319743
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cccc2C)nc(NC2CC2)n1
InChIInChI=1S/C17H20N4O/c1-10-5-4-6-11(2)15(10)21-16(22)14-9-12(3)18-17(20-14)19-13-7-8-13/h4-6,9,13H,7-8H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyNQBYJVVWQBJTPT-UHFFFAOYSA-N
XLogP3.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319753
N-(3-chloro-2-methylphenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319761
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
2-(cyclopropylamino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109319783
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319750
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319833
2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109322751
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109319743) is 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)cccc2C)nc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is NQBYJVVWQBJTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-5-4-6-11(2)15(10)21-16(22)14-9-12(3)18-17(20-14)19-13-7-8-13/h4-6,9,13H,7-8H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).