2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C15H25N3O — CID 114737863

IUPAC2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOC(CC)(CC)c1nc(C)c2c(n1)CCNC2
InChIInChI=1S/C15H25N3O/c1-5-15(6-2,19-7-3)14-17-11(4)12-10-16-9-8-13(12)18-14/h16H,5-10H2,1-4H3
InChIKeyMOYKAYRZRVAUFM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.48
Rot. Bonds5

About 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737863) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737863
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCOC(CC)(CC)c1nc(C)c2c(n1)CCNC2
InChIInChI=1S/C15H25N3O/c1-5-15(6-2,19-7-3)14-17-11(4)12-10-16-9-8-13(12)18-14/h16H,5-10H2,1-4H3
InChIKeyMOYKAYRZRVAUFM-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethoxypentan-3-yl)-4-methyl-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 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737863) is 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCOC(CC)(CC)c1nc(C)c2c(n1)CCNC2.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is MOYKAYRZRVAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-15(6-2,19-7-3)14-17-11(4)12-10-16-9-8-13(12)18-14/h16H,5-10H2,1-4H3.
What are the key properties of 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 263.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).