8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

C15H20N6O — CID 3232911

IUPAC8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(C2CC2)c1=O
InChIInChI=1S/C15H20N6O/c1-10-14(22)21(11-3-4-11)13-12(17-10)9-16-15(18-13)20-7-5-19(2)6-8-20/h9,11H,3-8H2,1-2H3
InChIKeyRRKHNGPTPQSKTL-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.58
Rot. Bonds2

About 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3232911) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3232911
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCc1nc2cnc(N3CCN(C)CC3)nc2n(C2CC2)c1=O
InChIInChI=1S/C15H20N6O/c1-10-14(22)21(11-3-4-11)13-12(17-10)9-16-15(18-13)20-7-5-19(2)6-8-20/h9,11H,3-8H2,1-2H3
InChIKeyRRKHNGPTPQSKTL-UHFFFAOYSA-N
XLogP0.58
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-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-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3232911) is 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is Cc1nc2cnc(N3CCN(C)CC3)nc2n(C2CC2)c1=O.
What is the InChIKey of 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is RRKHNGPTPQSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-14(22)21(11-3-4-11)13-12(17-10)9-16-15(18-13)20-7-5-19(2)6-8-20/h9,11H,3-8H2,1-2H3.
What are the key properties of 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 300.37 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3232911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).