7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

C12H19N5 — CID 70968568

IUPAC7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC1CCc2c(ncnc2N2CCNCC2)N1
InChIInChI=1S/C12H19N5/c1-9-2-3-10-11(16-9)14-8-15-12(10)17-6-4-13-5-7-17/h8-9,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyPGSIXABLPDOGKS-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.63
Rot. Bonds1

About 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine

7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (PubChem CID 70968568) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
PubChem CID70968568
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
SMILESCC1CCc2c(ncnc2N2CCNCC2)N1
InChIInChI=1S/C12H19N5/c1-9-2-3-10-11(16-9)14-8-15-12(10)17-6-4-13-5-7-17/h8-9,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyPGSIXABLPDOGKS-UHFFFAOYSA-N
XLogP0.63
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-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 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The IUPAC name of 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (CID 70968568) is 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is CC1CCc2c(ncnc2N2CCNCC2)N1.
What is the InChIKey of 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
The InChIKey is PGSIXABLPDOGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-2-3-10-11(16-9)14-8-15-12(10)17-6-4-13-5-7-17/h8-9,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine?
7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine has a molecular weight of 233.32 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 70968568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).