4-amino-1-butylpyrimidin-2-one

C8H13N3O — CID 14102292

IUPAC4-amino-1-butylpyrimidin-2-one
SMILESCCCCn1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O/c1-2-3-5-11-6-4-7(9)10-8(11)12/h4,6H,2-3,5H2,1H3,(H2,9,10,12)
InChIKeyBETPJXFOHAFNQJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.63
Rot. Bonds3

About 4-amino-1-butylpyrimidin-2-one

4-amino-1-butylpyrimidin-2-one (PubChem CID 14102292) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-1-butylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-butylpyrimidin-2-one
PubChem CID14102292
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-1-butylpyrimidin-2-one
SMILESCCCCn1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O/c1-2-3-5-11-6-4-7(9)10-8(11)12/h4,6H,2-3,5H2,1H3,(H2,9,10,12)
InChIKeyBETPJXFOHAFNQJ-UHFFFAOYSA-N
XLogP0.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-butylpyrimidin-2-one?
The IUPAC name of 4-amino-1-butylpyrimidin-2-one (CID 14102292) is 4-amino-1-butylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-butylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-butylpyrimidin-2-one is CCCCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-butylpyrimidin-2-one?
The InChIKey is BETPJXFOHAFNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-3-5-11-6-4-7(9)10-8(11)12/h4,6H,2-3,5H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-butylpyrimidin-2-one?
4-amino-1-butylpyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-butylpyrimidin-2-one is sourced from PubChem (CID 14102292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).