2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide

C13H22N4O — CID 109319063

IUPAC2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(NC(C)CC)n1
InChIInChI=1S/C13H22N4O/c1-5-7-14-12(18)11-8-10(4)16-13(17-11)15-9(3)6-2/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyWBLFHJSLYXVODY-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.14
Rot. Bonds6

About 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide

2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109319063) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109319063
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(NC(C)CC)n1
InChIInChI=1S/C13H22N4O/c1-5-7-14-12(18)11-8-10(4)16-13(17-11)15-9(3)6-2/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,16,17)
InChIKeyWBLFHJSLYXVODY-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109321216
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
6-methyl-4-propan-2-yl-N-propylpyridine-2-carboxamide
CID 142843630
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321274
2-(butan-2-ylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109321368
2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321277
N-(4-acetylphenyl)-2-(butan-2-ylamino)-6-methylpyrimidine-4-carboxamide
CID 109321317
2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
2-(butan-2-ylamino)-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321315
2-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321297
2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319236
azepan-1-yl-[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]methanone
CID 109321261

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide (CID 109319063) is 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C)nc(NC(C)CC)n1.
What is the InChIKey of 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is WBLFHJSLYXVODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-7-14-12(18)11-8-10(4)16-13(17-11)15-9(3)6-2/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide?
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).