7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one

C9H10N4O2 — CID 171384367

IUPAC7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one
SMILESCC(=O)CC1Nc2ncncc2NC1=O
InChIInChI=1S/C9H10N4O2/c1-5(14)2-6-9(15)13-7-3-10-4-11-8(7)12-6/h3-4,6H,2H2,1H3,(H,13,15)(H,10,11,12)
InChIKeySUDDXVLHOLYESV-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.19
Rot. Bonds2

About 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one

7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one (PubChem CID 171384367) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one
PubChem CID171384367
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one
SMILESCC(=O)CC1Nc2ncncc2NC1=O
InChIInChI=1S/C9H10N4O2/c1-5(14)2-6-9(15)13-7-3-10-4-11-8(7)12-6/h3-4,6H,2H2,1H3,(H,13,15)(H,10,11,12)
InChIKeySUDDXVLHOLYESV-UHFFFAOYSA-N
XLogP0.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one (CID 171384367) is 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one is CC(=O)CC1Nc2ncncc2NC1=O.
What is the InChIKey of 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is SUDDXVLHOLYESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5(14)2-6-9(15)13-7-3-10-4-11-8(7)12-6/h3-4,6H,2H2,1H3,(H,13,15)(H,10,11,12).
What are the key properties of 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one?
7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 206.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopropyl)-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 171384367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).