4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one

C9H15N3O3 — CID 14769345

IUPAC4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one
SMILESCCC(CO)OCn1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O3/c1-2-7(5-13)15-6-12-4-3-8(10)11-9(12)14/h3-4,7,13H,2,5-6H2,1H3,(H2,10,11,14)
InChIKeyGCIPZASZAKIIIV-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.43
Rot. Bonds5

About 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one

4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one (PubChem CID 14769345) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one
PubChem CID14769345
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one
SMILESCCC(CO)OCn1ccc(N)nc1=O
InChIInChI=1S/C9H15N3O3/c1-2-7(5-13)15-6-12-4-3-8(10)11-9(12)14/h3-4,7,13H,2,5-6H2,1H3,(H2,10,11,14)
InChIKeyGCIPZASZAKIIIV-UHFFFAOYSA-N
XLogP-0.43
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one (CID 14769345) is 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one is CCC(CO)OCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one?
The InChIKey is GCIPZASZAKIIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-7(5-13)15-6-12-4-3-8(10)11-9(12)14/h3-4,7,13H,2,5-6H2,1H3,(H2,10,11,14).
What are the key properties of 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one?
4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one has a molecular weight of 213.24 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-hydroxybutan-2-yloxymethyl)pyrimidin-2-one is sourced from PubChem (CID 14769345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).