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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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).