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

C13H16N6O — CID 3234693

IUPAC8-cyclopropyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1C1CC1
InChIInChI=1S/C13H16N6O/c20-11-8-15-10-7-16-13(18-5-3-14-4-6-18)17-12(10)19(11)9-1-2-9/h7-9,14H,1-6H2
InChIKeyZVGCSAQIFPTPAJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.07
Rot. Bonds2

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

8-cyclopropyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3234693) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3234693
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name8-cyclopropyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCNCC3)nc2n1C1CC1
InChIInChI=1S/C13H16N6O/c20-11-8-15-10-7-16-13(18-5-3-14-4-6-18)17-12(10)19(11)9-1-2-9/h7-9,14H,1-6H2
InChIKeyZVGCSAQIFPTPAJ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one (CID 3234693) is 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one is O=c1cnc2cnc(N3CCNCC3)nc2n1C1CC1.
What is the InChIKey of 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is ZVGCSAQIFPTPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-11-8-15-10-7-16-13(18-5-3-14-4-6-18)17-12(10)19(11)9-1-2-9/h7-9,14H,1-6H2.
What are the key properties of 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one?
8-cyclopropyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 272.31 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).