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

C9H13N3 — CID 54592647

IUPAC2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CNCC2
InChIInChI=1S/C9H13N3/c1-2-9-11-5-7-3-4-10-6-8(7)12-9/h5,10H,2-4,6H2,1H3
InChIKeyRQQFQIHYFJXNMK-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.68
Rot. Bonds1

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

2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 54592647) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID54592647
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CNCC2
InChIInChI=1S/C9H13N3/c1-2-9-11-5-7-3-4-10-6-8(7)12-9/h5,10H,2-4,6H2,1H3
InChIKeyRQQFQIHYFJXNMK-UHFFFAOYSA-N
XLogP0.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 54592647) is 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCc1ncc2c(n1)CNCC2.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is RQQFQIHYFJXNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-9-11-5-7-3-4-10-6-8(7)12-9/h5,10H,2-4,6H2,1H3.
What are the key properties of 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 54592647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).