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

C9H15N3O — CID 90890428

IUPAC2-[butyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(C)c1nccc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-4-7-12(2)9-10-6-5-8(13)11-9/h5-6H,3-4,7H2,1-2H3,(H,10,11,13)
InChIKeyNFTOKOLHVUWPAU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds4

About 2-[butyl(methyl)amino]-1H-pyrimidin-6-one

2-[butyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 90890428) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID90890428
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[butyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(C)c1nccc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-4-7-12(2)9-10-6-5-8(13)11-9/h5-6H,3-4,7H2,1-2H3,(H,10,11,13)
InChIKeyNFTOKOLHVUWPAU-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 2-[butyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[butyl(methyl)amino]-1H-pyrimidin-6-one (CID 90890428) is 2-[butyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[butyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[butyl(methyl)amino]-1H-pyrimidin-6-one is CCCCN(C)c1nccc(=O)[nH]1.
What is the InChIKey of 2-[butyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NFTOKOLHVUWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-7-12(2)9-10-6-5-8(13)11-9/h5-6H,3-4,7H2,1-2H3,(H,10,11,13).
What are the key properties of 2-[butyl(methyl)amino]-1H-pyrimidin-6-one?
2-[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 2-[butyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 90890428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).