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

C19H20N6O — CID 3232697

IUPAC8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1C1CC1
InChIInChI=1S/C19H20N6O/c26-18-16(13-4-2-1-3-5-13)22-15-12-21-19(24-10-8-20-9-11-24)23-17(15)25(18)14-6-7-14/h1-5,12,14,20H,6-11H2
InChIKeyPHGQTOVVJUMEAM-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.60
Rot. Bonds3

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

8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3232697) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3232697
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1C1CC1
InChIInChI=1S/C19H20N6O/c26-18-16(13-4-2-1-3-5-13)22-15-12-21-19(24-10-8-20-9-11-24)23-17(15)25(18)14-6-7-14/h1-5,12,14,20H,6-11H2
InChIKeyPHGQTOVVJUMEAM-UHFFFAOYSA-N
XLogP1.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one (CID 3232697) is 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one is O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1C1CC1.
What is the InChIKey of 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is PHGQTOVVJUMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-18-16(13-4-2-1-3-5-13)22-15-12-21-19(24-10-8-20-9-11-24)23-17(15)25(18)14-6-7-14/h1-5,12,14,20H,6-11H2.
What are the key properties of 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one?
8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 348.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-phenyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3232697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).