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

C13H15N5 — CID 114738589

IUPAC4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1nc(-c2ncccn2)nc2c1CNCC2
InChIInChI=1S/C13H15N5/c1-2-10-9-8-14-7-4-11(9)18-13(17-10)12-15-5-3-6-16-12/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyNYJHTQNTWLRYJN-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.14
Rot. Bonds2

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

4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738589) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738589
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1nc(-c2ncccn2)nc2c1CNCC2
InChIInChI=1S/C13H15N5/c1-2-10-9-8-14-7-4-11(9)18-13(17-10)12-15-5-3-6-16-12/h3,5-6,14H,2,4,7-8H2,1H3
InChIKeyNYJHTQNTWLRYJN-UHFFFAOYSA-N
XLogP1.14
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738589) is 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCc1nc(-c2ncccn2)nc2c1CNCC2.
What is the InChIKey of 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is NYJHTQNTWLRYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-2-10-9-8-14-7-4-11(9)18-13(17-10)12-15-5-3-6-16-12/h3,5-6,14H,2,4,7-8H2,1H3.
What are the key properties of 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 241.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).