4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C14H15N3 — CID 83850035

IUPAC4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1ccc(-c2ncnc3c2CCNC3)cc1
InChIInChI=1S/C14H15N3/c1-10-2-4-11(5-3-10)14-12-6-7-15-8-13(12)16-9-17-14/h2-5,9,15H,6-8H2,1H3
InChIKeyHMRMZRQITOHPMF-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.10
Rot. Bonds1

About 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 83850035) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID83850035
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1ccc(-c2ncnc3c2CCNC3)cc1
InChIInChI=1S/C14H15N3/c1-10-2-4-11(5-3-10)14-12-6-7-15-8-13(12)16-9-17-14/h2-5,9,15H,6-8H2,1H3
InChIKeyHMRMZRQITOHPMF-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 83850035) is 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1ccc(-c2ncnc3c2CCNC3)cc1.
What is the InChIKey of 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is HMRMZRQITOHPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-2-4-11(5-3-10)14-12-6-7-15-8-13(12)16-9-17-14/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 225.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 83850035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).