4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one

C9H13N3O3 — CID 114586548

IUPAC4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CC(N)C2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-14-7-8(13)11-4-12-9(7)15-6-2-5(10)3-6/h4-6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyUGVJKBOWJBECRF-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.35
Rot. Bonds3

About 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one

4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586548) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586548
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CC(N)C2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-14-7-8(13)11-4-12-9(7)15-6-2-5(10)3-6/h4-6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyUGVJKBOWJBECRF-UHFFFAOYSA-N
XLogP-0.35
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one (CID 114586548) is 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one is COc1c(OC2CC(N)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UGVJKBOWJBECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-7-8(13)11-4-12-9(7)15-6-2-5(10)3-6/h4-6H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one?
4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).