1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C11H17N3O2 — CID 146614595

IUPAC1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c2c(n(C)c1=O)CNCC2
InChIInChI=1S/C11H17N3O2/c1-7(2)14-10(15)8-4-5-12-6-9(8)13(3)11(14)16/h7,12H,4-6H2,1-3H3
InChIKeyRYXFMRAHMYFVNW-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.23
Rot. Bonds1

About 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 146614595) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID146614595
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c2c(n(C)c1=O)CNCC2
InChIInChI=1S/C11H17N3O2/c1-7(2)14-10(15)8-4-5-12-6-9(8)13(3)11(14)16/h7,12H,4-6H2,1-3H3
InChIKeyRYXFMRAHMYFVNW-UHFFFAOYSA-N
XLogP-0.23
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 146614595) is 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is CC(C)n1c(=O)c2c(n(C)c1=O)CNCC2.
What is the InChIKey of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is RYXFMRAHMYFVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)14-10(15)8-4-5-12-6-9(8)13(3)11(14)16/h7,12H,4-6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 146614595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).