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

C9H13N3O — CID 50988019

IUPAC4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1ncnc2c1CNCC2
InChIInChI=1S/C9H13N3O/c1-2-13-9-7-5-10-4-3-8(7)11-6-12-9/h6,10H,2-5H2,1H3
InChIKeyVROMRJBUZCYJBV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.52
Rot. Bonds2

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

4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 50988019) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID50988019
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOc1ncnc2c1CNCC2
InChIInChI=1S/C9H13N3O/c1-2-13-9-7-5-10-4-3-8(7)11-6-12-9/h6,10H,2-5H2,1H3
InChIKeyVROMRJBUZCYJBV-UHFFFAOYSA-N
XLogP0.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 50988019) is 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOc1ncnc2c1CNCC2.
What is the InChIKey of 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is VROMRJBUZCYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-13-9-7-5-10-4-3-8(7)11-6-12-9/h6,10H,2-5H2,1H3.
What are the key properties of 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 179.22 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 50988019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).