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

C14H18N6O — CID 3235223

IUPAC8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(C4CC4)c3n2)CC1
InChIInChI=1S/C14H18N6O/c1-18-4-6-19(7-5-18)14-16-8-11-13(17-14)20(10-2-3-10)12(21)9-15-11/h8-10H,2-7H2,1H3
InChIKeyWOEVJXLTNFYPKP-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.27
Rot. Bonds2

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

8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3235223) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3235223
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCN1CCN(c2ncc3ncc(=O)n(C4CC4)c3n2)CC1
InChIInChI=1S/C14H18N6O/c1-18-4-6-19(7-5-18)14-16-8-11-13(17-14)20(10-2-3-10)12(21)9-15-11/h8-10H,2-7H2,1H3
InChIKeyWOEVJXLTNFYPKP-UHFFFAOYSA-N
XLogP0.27
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3235223) is 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is CN1CCN(c2ncc3ncc(=O)n(C4CC4)c3n2)CC1.
What is the InChIKey of 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is WOEVJXLTNFYPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-18-4-6-19(7-5-18)14-16-8-11-13(17-14)20(10-2-3-10)12(21)9-15-11/h8-10H,2-7H2,1H3.
What are the key properties of 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 286.34 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3235223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).