(6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione

C8H11N3O2 — CID 176994175

IUPAC(6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESC[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)CN1
InChIInChI=1S/C8H11N3O2/c1-4-2-5-6(3-9-4)10-8(13)11-7(5)12/h4,9H,2-3H2,1H3,(H2,10,11,12,13)/t4-/m1/s1
InChIKeyDUZWDTAJGNDZEC-SCSAIBSYSA-N
MW181.19 g/mol
LogP-0.90
Rot. Bonds

About (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione

(6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 176994175) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID176994175
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESC[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)CN1
InChIInChI=1S/C8H11N3O2/c1-4-2-5-6(3-9-4)10-8(13)11-7(5)12/h4,9H,2-3H2,1H3,(H2,10,11,12,13)/t4-/m1/s1
InChIKeyDUZWDTAJGNDZEC-SCSAIBSYSA-N
XLogP-0.90
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[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 (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione (CID 176994175) is (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione is C[C@@H]1Cc2c([nH]c(=O)[nH]c2=O)CN1.
What is the InChIKey of (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is DUZWDTAJGNDZEC-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-2-5-6(3-9-4)10-8(13)11-7(5)12/h4,9H,2-3H2,1H3,(H2,10,11,12,13)/t4-/m1/s1.
What are the key properties of (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
(6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 181.19 g/mol, XLogP of -0.90, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 176994175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).