3-methyl-6-(prop-2-enylamino)pyrimidin-4-one

C8H11N3O — CID 134160499

IUPAC3-methyl-6-(prop-2-enylamino)pyrimidin-4-one
SMILESC=CCNc1cc(=O)n(C)cn1
InChIInChI=1S/C8H11N3O/c1-3-4-9-7-5-8(12)11(2)6-10-7/h3,5-6,9H,1,4H2,2H3
InChIKeyJBSIGMYUCBCBKM-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.38
Rot. Bonds3

About 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one

3-methyl-6-(prop-2-enylamino)pyrimidin-4-one (PubChem CID 134160499) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(prop-2-enylamino)pyrimidin-4-one
PubChem CID134160499
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methyl-6-(prop-2-enylamino)pyrimidin-4-one
SMILESC=CCNc1cc(=O)n(C)cn1
InChIInChI=1S/C8H11N3O/c1-3-4-9-7-5-8(12)11(2)6-10-7/h3,5-6,9H,1,4H2,2H3
InChIKeyJBSIGMYUCBCBKM-UHFFFAOYSA-N
XLogP0.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one (CID 134160499) is 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one is C=CCNc1cc(=O)n(C)cn1.
What is the InChIKey of 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one?
The InChIKey is JBSIGMYUCBCBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-4-9-7-5-8(12)11(2)6-10-7/h3,5-6,9H,1,4H2,2H3.
What are the key properties of 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one?
3-methyl-6-(prop-2-enylamino)pyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(prop-2-enylamino)pyrimidin-4-one is sourced from PubChem (CID 134160499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).