8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one

C14H18N6O — CID 3233539

IUPAC8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCNCC3)nc2n(C2CC2)c1=O
InChIInChI=1S/C14H18N6O/c1-9-13(21)20(10-2-3-10)12-11(17-9)8-16-14(18-12)19-6-4-15-5-7-19/h8,10,15H,2-7H2,1H3
InChIKeyITBYRNJIFJOITB-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.24
Rot. Bonds2

About 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one

8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3233539) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3233539
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCNCC3)nc2n(C2CC2)c1=O
InChIInChI=1S/C14H18N6O/c1-9-13(21)20(10-2-3-10)12-11(17-9)8-16-14(18-12)19-6-4-15-5-7-19/h8,10,15H,2-7H2,1H3
InChIKeyITBYRNJIFJOITB-UHFFFAOYSA-N
XLogP0.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one 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 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one (CID 3233539) is 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one is Cc1nc2cnc(N3CCNCC3)nc2n(C2CC2)c1=O.
What is the InChIKey of 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is ITBYRNJIFJOITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9-13(21)20(10-2-3-10)12-11(17-9)8-16-14(18-12)19-6-4-15-5-7-19/h8,10,15H,2-7H2,1H3.
What are the key properties of 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one?
8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 286.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-methyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3233539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).