4-[butyl(methyl)amino]-1H-pyrimidin-6-one

C9H15N3O — CID 136650100

IUPAC4-[butyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-3-4-5-12(2)8-6-9(13)11-7-10-8/h6-7H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyDTUDFRDCFZSWLE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds4

About 4-[butyl(methyl)amino]-1H-pyrimidin-6-one

4-[butyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136650100) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136650100
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-[butyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O/c1-3-4-5-12(2)8-6-9(13)11-7-10-8/h6-7H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyDTUDFRDCFZSWLE-UHFFFAOYSA-N
XLogP1.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[butyl(methyl)amino]-1H-pyrimidin-6-one (CID 136650100) is 4-[butyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butyl(methyl)amino]-1H-pyrimidin-6-one is CCCCN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[butyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DTUDFRDCFZSWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-5-12(2)8-6-9(13)11-7-10-8/h6-7H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 4-[butyl(methyl)amino]-1H-pyrimidin-6-one?
4-[butyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136650100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).