4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one

C11H17N3O3 — CID 67910727

IUPAC4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one
SMILESCC(O)C1C(CO)CC1n1ccc(N)nc1=O
InChIInChI=1S/C11H17N3O3/c1-6(16)10-7(5-15)4-8(10)14-3-2-9(12)13-11(14)17/h2-3,6-8,10,15-16H,4-5H2,1H3,(H2,12,13,17)
InChIKeyFASMIYKHXCVZBC-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.62
Rot. Bonds3

About 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one

4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one (PubChem CID 67910727) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one
PubChem CID67910727
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one
SMILESCC(O)C1C(CO)CC1n1ccc(N)nc1=O
InChIInChI=1S/C11H17N3O3/c1-6(16)10-7(5-15)4-8(10)14-3-2-9(12)13-11(14)17/h2-3,6-8,10,15-16H,4-5H2,1H3,(H2,12,13,17)
InChIKeyFASMIYKHXCVZBC-UHFFFAOYSA-N
XLogP-0.62
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one (CID 67910727) is 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one is CC(O)C1C(CO)CC1n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one?
The InChIKey is FASMIYKHXCVZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(16)10-7(5-15)4-8(10)14-3-2-9(12)13-11(14)17/h2-3,6-8,10,15-16H,4-5H2,1H3,(H2,12,13,17).
What are the key properties of 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one?
4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one has a molecular weight of 239.28 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(1-hydroxyethyl)-3-(hydroxymethyl)cyclobutyl]pyrimidin-2-one is sourced from PubChem (CID 67910727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).