(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one

C9H11ClN4O — CID 146195195

IUPAC(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one
SMILESCC[C@H]1C(=O)Nc2cnc(Cl)nc2N1C
InChIInChI=1S/C9H11ClN4O/c1-3-6-8(15)12-5-4-11-9(10)13-7(5)14(6)2/h4,6H,3H2,1-2H3,(H,12,15)/t6-/m0/s1
InChIKeyDOCFUMVDENXWNR-LURJTMIESA-N
MW226.67 g/mol
LogP1.30
Rot. Bonds1

About (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one

(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one (PubChem CID 146195195) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one
PubChem CID146195195
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one
SMILESCC[C@H]1C(=O)Nc2cnc(Cl)nc2N1C
InChIInChI=1S/C9H11ClN4O/c1-3-6-8(15)12-5-4-11-9(10)13-7(5)14(6)2/h4,6H,3H2,1-2H3,(H,12,15)/t6-/m0/s1
InChIKeyDOCFUMVDENXWNR-LURJTMIESA-N
XLogP1.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one
CID 71603032
2-ethyl-1-methyl-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 79295856
(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one;ethyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)-propan-2-ylamino]butanoate
CID 158495167
13-chloro-2-methyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155287637
2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one
CID 58405293
(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405336
2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7-propyl-5,7-dihydropteridin-6-one
CID 146202926
2-chloro-8-(3-hydroxypropyl)-7-methylidene-5H-pteridin-6-one
CID 90368268
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylpiperazine-2,6-dione
CID 81037837
2-chloro-7-methyl-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 165401012
2-chloro-9-cyclopentyl-7,7-dimethyl-5,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
CID 58154012
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475

Frequently Asked Questions

What is the IUPAC name of (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one (CID 146195195) is (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one is CC[C@H]1C(=O)Nc2cnc(Cl)nc2N1C.
What is the InChIKey of (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one?
The InChIKey is DOCFUMVDENXWNR-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-3-6-8(15)12-5-4-11-9(10)13-7(5)14(6)2/h4,6H,3H2,1-2H3,(H,12,15)/t6-/m0/s1.
What are the key properties of (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one?
(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one has a molecular weight of 226.67 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146195195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).