2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one

C13H23N3O — CID 135547801

IUPAC2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCN(CCCC)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-4-6-8-16(9-7-5-2)13-14-11(3)10-12(17)15-13/h10H,4-9H2,1-3H3,(H,14,15,17)
InChIKeySJMFPYRJDWOKSV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds7

About 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one

2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135547801) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135547801
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCN(CCCC)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-4-6-8-16(9-7-5-2)13-14-11(3)10-12(17)15-13/h10H,4-9H2,1-3H3,(H,14,15,17)
InChIKeySJMFPYRJDWOKSV-UHFFFAOYSA-N
XLogP2.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-6-methyl-1H-pyrimidin-4-one
CID 135448147
6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol
CID 135401880
2-[1,4]Diazepan-1-yl-6-methyl-3H-pyrimidin-4-one
CID 135417614
6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2(6-isocyanatohexylaminocarbonylamino)-6-methyl-4[1H]pyrimidinone
CID 135584193
8-methyl-1H,2H,3H,4H,6H-pyrimido[1,2-a][1,3]diazin-6-one
CID 136303942
N-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-N-propylacetamide
CID 172437682
3-Ethyl-6-methyl-2-(propan-2-ylamino)pyrimidin-4-one
CID 178314254
2-Amino-3-ethyl-6-methyl-4-pyrimidinone
CID 14574215
N-Butyl-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
CID 135587710
N,N-Dimethyl-N''-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)guanidine
CID 135488785
2-Cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135452163

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one (CID 135547801) is 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one is CCCCN(CCCC)c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SJMFPYRJDWOKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-8-16(9-7-5-2)13-14-11(3)10-12(17)15-13/h10H,4-9H2,1-3H3,(H,14,15,17).
What are the key properties of 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135547801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).