3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

C11H15N3O2 — CID 76851527

IUPAC3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESC=CCN1CCC2=NC(=O)N(C)C(=O)C2C1
InChIInChI=1S/C11H15N3O2/c1-3-5-14-6-4-9-8(7-14)10(15)13(2)11(16)12-9/h3,8H,1,4-7H2,2H3
InChIKeySPMRWJFUZBPBKT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.53
Rot. Bonds2

About 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 76851527) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID76851527
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESC=CCN1CCC2=NC(=O)N(C)C(=O)C2C1
InChIInChI=1S/C11H15N3O2/c1-3-5-14-6-4-9-8(7-14)10(15)13(2)11(16)12-9/h3,8H,1,4-7H2,2H3
InChIKeySPMRWJFUZBPBKT-UHFFFAOYSA-N
XLogP0.53
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 76851527) is 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is C=CCN1CCC2=NC(=O)N(C)C(=O)C2C1.
What is the InChIKey of 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is SPMRWJFUZBPBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-5-14-6-4-9-8(7-14)10(15)13(2)11(16)12-9/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-prop-2-enyl-4a,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 76851527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).