2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 63555531

IUPAC2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCCC(N)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-6(10)7-11-8(13)5(2)9(14)12-7/h6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyVSDLZAUPKAKXCC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.58
Rot. Bonds3

About 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63555531) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63555531
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCCC(N)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-6(10)7-11-8(13)5(2)9(14)12-7/h6H,3-4,10H2,1-2H3,(H2,11,12,13,14)
InChIKeyVSDLZAUPKAKXCC-UHFFFAOYSA-N
XLogP0.58
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63555531) is 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCCC(N)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is VSDLZAUPKAKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-6(10)7-11-8(13)5(2)9(14)12-7/h6H,3-4,10H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).