6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one

C8H11N3O2 — CID 67822245

IUPAC6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(OC)nc(N)cc1=O
InChIInChI=1S/C8H11N3O2/c1-3-4-11-7(12)5-6(9)10-8(11)13-2/h3,5H,1,4,9H2,2H3
InChIKeyKCVAZNUYSAEZST-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.02
Rot. Bonds3

About 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one

6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one (PubChem CID 67822245) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one
PubChem CID67822245
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(OC)nc(N)cc1=O
InChIInChI=1S/C8H11N3O2/c1-3-4-11-7(12)5-6(9)10-8(11)13-2/h3,5H,1,4,9H2,2H3
InChIKeyKCVAZNUYSAEZST-UHFFFAOYSA-N
XLogP0.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one (CID 67822245) is 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one is C=CCn1c(OC)nc(N)cc1=O.
What is the InChIKey of 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
The InChIKey is KCVAZNUYSAEZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-4-11-7(12)5-6(9)10-8(11)13-2/h3,5H,1,4,9H2,2H3.
What are the key properties of 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methoxy-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 67822245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).