2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one

C9H15N3O — CID 135973670

IUPAC2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C9H15N3O/c1-4-5-7-6-8(13)11-9(10-7)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyQFYKPIHHPFFQIQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.79
Rot. Bonds3

About 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one

2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135973670) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135973670
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C9H15N3O/c1-4-5-7-6-8(13)11-9(10-7)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyQFYKPIHHPFFQIQ-UHFFFAOYSA-N
XLogP0.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-propyl-1H-pyrimidin-6-one
CID 135624230
6-Propyl-2-selenouracil
CID 135412657
2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
2-[3-(dimethylamino)propylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136685058
2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 135973672
2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride
CID 137049928
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930623
4-propyl-2-pyrimidin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 136680347
2-(3-amino-5-oxo-1H-pyrazol-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 155811457
2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135893852
2-(3,4-dihydroxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136938589

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one (CID 135973670) is 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is QFYKPIHHPFFQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-5-7-6-8(13)11-9(10-7)12(2)3/h6H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one?
2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).