2-amino-4-butyl-1H-pyrimidin-6-one

C8H13N3O — CID 135950130

IUPAC2-amino-4-butyl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H13N3O/c1-2-3-4-6-5-7(12)11-8(9)10-6/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyCQEHEGMGWOESQU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds3

About 2-amino-4-butyl-1H-pyrimidin-6-one

2-amino-4-butyl-1H-pyrimidin-6-one (PubChem CID 135950130) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-4-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-butyl-1H-pyrimidin-6-one
PubChem CID135950130
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-4-butyl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H13N3O/c1-2-3-4-6-5-7(12)11-8(9)10-6/h5H,2-4H2,1H3,(H3,9,10,11,12)
InChIKeyCQEHEGMGWOESQU-UHFFFAOYSA-N
XLogP0.69
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-butyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-butyl-1H-pyrimidin-6-one (CID 135950130) is 2-amino-4-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-butyl-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-butyl-1H-pyrimidin-6-one?
The InChIKey is CQEHEGMGWOESQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-4-6-5-7(12)11-8(9)10-6/h5H,2-4H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-4-butyl-1H-pyrimidin-6-one?
2-amino-4-butyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135950130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).