4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one

C8H13N3O3 — CID 131733670

IUPAC4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one
SMILESCC(O)CC(O)n1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O3/c1-5(12)4-7(13)11-3-2-6(9)10-8(11)14/h2-3,5,7,12-13H,4H2,1H3,(H2,9,10,14)
InChIKeyJVFCVVKPZKRAOA-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.91
Rot. Bonds3

About 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one

4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one (PubChem CID 131733670) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one
PubChem CID131733670
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one
SMILESCC(O)CC(O)n1ccc(N)nc1=O
InChIInChI=1S/C8H13N3O3/c1-5(12)4-7(13)11-3-2-6(9)10-8(11)14/h2-3,5,7,12-13H,4H2,1H3,(H2,9,10,14)
InChIKeyJVFCVVKPZKRAOA-UHFFFAOYSA-N
XLogP-0.91
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one (CID 131733670) is 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one is CC(O)CC(O)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one?
The InChIKey is JVFCVVKPZKRAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(12)4-7(13)11-3-2-6(9)10-8(11)14/h2-3,5,7,12-13H,4H2,1H3,(H2,9,10,14).
What are the key properties of 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one?
4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one has a molecular weight of 199.21 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,3-dihydroxybutyl)pyrimidin-2-one is sourced from PubChem (CID 131733670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).