(7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one

C9H11ClN4O — CID 146193989

IUPAC(7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C9H11ClN4O/c1-4-6-7(13-9(10)11-4)14(3)5(2)8(15)12-6/h5H,1-3H3,(H,12,15)/t5-/m0/s1
InChIKeyHUXJAOAEDUBAAW-YFKPBYRVSA-N
MW226.67 g/mol
LogP1.22
Rot. Bonds

About (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one

(7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one (PubChem CID 146193989) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one
PubChem CID146193989
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name(7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C9H11ClN4O/c1-4-6-7(13-9(10)11-4)14(3)5(2)8(15)12-6/h5H,1-3H3,(H,12,15)/t5-/m0/s1
InChIKeyHUXJAOAEDUBAAW-YFKPBYRVSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-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 (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one (CID 146193989) is (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one is Cc1nc(Cl)nc2c1NC(=O)[C@H](C)N2C.
What is the InChIKey of (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The InChIKey is HUXJAOAEDUBAAW-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-4-6-7(13-9(10)11-4)14(3)5(2)8(15)12-6/h5H,1-3H3,(H,12,15)/t5-/m0/s1.
What are the key properties of (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
(7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one has a molecular weight of 226.67 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-chloro-4,7,8-trimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146193989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).