3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione

C9H13N3O2 — CID 752094

IUPAC3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(NC)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-4-5-12-7(10-2)6-8(13)11(3)9(12)14/h4,6,10H,1,5H2,2-3H3
InChIKeyQPVLGHKPCXACPD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.23
Rot. Bonds3

About 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione

3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione (PubChem CID 752094) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione
PubChem CID752094
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione
SMILESC=CCn1c(NC)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13N3O2/c1-4-5-12-7(10-2)6-8(13)11(3)9(12)14/h4,6,10H,1,5H2,2-3H3
InChIKeyQPVLGHKPCXACPD-UHFFFAOYSA-N
XLogP-0.23
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.23
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 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione (CID 752094) is 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione is C=CCn1c(NC)cc(=O)n(C)c1=O.
What is the InChIKey of 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione?
The InChIKey is QPVLGHKPCXACPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-4-5-12-7(10-2)6-8(13)11(3)9(12)14/h4,6,10H,1,5H2,2-3H3.
What are the key properties of 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione?
3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(methylamino)-1-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 752094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).