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

C9H13N3O2 — CID 19423355

IUPAC3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCN1CCc2[nH]c(=O)n(C)c(=O)c2C1
InChIInChI=1S/C9H13N3O2/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7/h3-5H2,1-2H3,(H,10,14)
InChIKeyQLQGVUHRNUZYQQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.94
Rot. Bonds

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

3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 19423355) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID19423355
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCN1CCc2[nH]c(=O)n(C)c(=O)c2C1
InChIInChI=1S/C9H13N3O2/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7/h3-5H2,1-2H3,(H,10,14)
InChIKeyQLQGVUHRNUZYQQ-UHFFFAOYSA-N
XLogP-0.94
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 19423355) is 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is CN1CCc2[nH]c(=O)n(C)c(=O)c2C1.
What is the InChIKey of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is QLQGVUHRNUZYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7/h3-5H2,1-2H3,(H,10,14).
What are the key properties of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 19423355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).