(7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one

C15H17ClN4OS — CID 138964355

IUPAC(7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1Cc1cc(C)cs1
InChIInChI=1S/C15H17ClN4OS/c1-4-11-14(21)19(3)12-6-17-15(16)18-13(12)20(11)7-10-5-9(2)8-22-10/h5-6,8,11H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyGYGBJQTUGIMSIY-LLVKDONJSA-N
MW336.85 g/mol
LogP3.26
Rot. Bonds3

About (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one

(7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one (PubChem CID 138964355) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
PubChem CID138964355
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name(7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1Cc1cc(C)cs1
InChIInChI=1S/C15H17ClN4OS/c1-4-11-14(21)19(3)12-6-17-15(16)18-13(12)20(11)7-10-5-9(2)8-22-10/h5-6,8,11H,4,7H2,1-3H3/t11-/m1/s1
InChIKeyGYGBJQTUGIMSIY-LLVKDONJSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-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

Related Compounds

(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405336
2-chloro-7-ethyl-5-methyl-8-phenyl-7H-pteridin-6-one
CID 58405293
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
2-chloro-7-ethyl-5-methyl-8-(3-pyrimidin-5-ylphenyl)-7H-pteridin-6-one
CID 58405320
tert-butyl N-(2-chloro-7-ethyl-5-methyl-6-oxo-7H-pteridin-8-yl)-N-methylcarbamate
CID 87301059
(7R)-2-chloro-7-ethyl-5-methyl-8-[1-(2-methylpropyl)piperidin-4-yl]-7H-pteridin-6-one
CID 174674584
2-[2-(2-chloro-4-fluorophenyl)imidazol-1-yl]-7-ethyl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 67372164
8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one
CID 123461562
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one;2-(1H-imidazol-2-yl)-1,3-thiazole
CID 159988373
(7R)-2-[2-ethoxy-4-(1-methylpiperidin-4-yl)anilino]-7-ethyl-5-methyl-8-[(5-methylthiophen-2-yl)methyl]-7H-pteridin-6-one
CID 155541660
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 91827947

Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one (CID 138964355) is (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1Cc1cc(C)cs1.
What is the InChIKey of (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one?
The InChIKey is GYGBJQTUGIMSIY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-4-11-14(21)19(3)12-6-17-15(16)18-13(12)20(11)7-10-5-9(2)8-22-10/h5-6,8,11H,4,7H2,1-3H3/t11-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one?
(7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one has a molecular weight of 336.85 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7H-pteridin-6-one is sourced from PubChem (CID 138964355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).