6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H15N5O2 — CID 175766463

IUPAC6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(N2CCc3ncncc3C2)c(OC)n1
InChIInChI=1S/C13H15N5O2/c1-19-12-11(6-15-13(17-12)20-2)18-4-3-10-9(7-18)5-14-8-16-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyRUQKTNUSLCIIIC-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.85
Rot. Bonds3

About 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 175766463) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID175766463
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ncc(N2CCc3ncncc3C2)c(OC)n1
InChIInChI=1S/C13H15N5O2/c1-19-12-11(6-15-13(17-12)20-2)18-4-3-10-9(7-18)5-14-8-16-10/h5-6,8H,3-4,7H2,1-2H3
InChIKeyRUQKTNUSLCIIIC-UHFFFAOYSA-N
XLogP0.85
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 175766463) is 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ncc(N2CCc3ncncc3C2)c(OC)n1.
What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RUQKTNUSLCIIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-19-12-11(6-15-13(17-12)20-2)18-4-3-10-9(7-18)5-14-8-16-10/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 273.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxypyrimidin-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 175766463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).