2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C9H13N3O2 — CID 83668190

IUPAC2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CCNC2
InChIInChI=1S/C9H13N3O2/c1-13-8-6-3-4-10-5-7(6)11-9(12-8)14-2/h10H,3-5H2,1-2H3
InChIKeyFOXVOHGXVKFZEQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.14
Rot. Bonds2

About 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 83668190) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID83668190
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CCNC2
InChIInChI=1S/C9H13N3O2/c1-13-8-6-3-4-10-5-7(6)11-9(12-8)14-2/h10H,3-5H2,1-2H3
InChIKeyFOXVOHGXVKFZEQ-UHFFFAOYSA-N
XLogP0.14
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 83668190) is 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is COc1nc2c(c(OC)n1)CCNC2.
What is the InChIKey of 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is FOXVOHGXVKFZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-13-8-6-3-4-10-5-7(6)11-9(12-8)14-2/h10H,3-5H2,1-2H3.
What are the key properties of 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 195.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 83668190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).