4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C19H25N5O — CID 42870483

IUPAC4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CNCC3)c1
InChIInChI=1S/C19H25N5O/c1-14-4-3-5-15(12-14)25-18-16-13-20-7-6-17(16)21-19(22-18)24-10-8-23(2)9-11-24/h3-5,12,20H,6-11,13H2,1-2H3
InChIKeyIMFRWPKKBGLJNJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.97
Rot. Bonds3

About 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 42870483) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID42870483
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CNCC3)c1
InChIInChI=1S/C19H25N5O/c1-14-4-3-5-15(12-14)25-18-16-13-20-7-6-17(16)21-19(22-18)24-10-8-23(2)9-11-24/h3-5,12,20H,6-11,13H2,1-2H3
InChIKeyIMFRWPKKBGLJNJ-UHFFFAOYSA-N
XLogP1.97
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-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-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 42870483) is 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1cccc(Oc2nc(N3CCN(C)CC3)nc3c2CNCC3)c1.
What is the InChIKey of 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is IMFRWPKKBGLJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-4-3-5-15(12-14)25-18-16-13-20-7-6-17(16)21-19(22-18)24-10-8-23(2)9-11-24/h3-5,12,20H,6-11,13H2,1-2H3.
What are the key properties of 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 339.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 42870483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).