4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine

C15H15ClN4O2 — CID 176729390

IUPAC4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine
SMILESCOc1ccc(CN2C=CNc3c(Cl)ncnc32)c(OC)c1
InChIInChI=1S/C15H15ClN4O2/c1-21-11-4-3-10(12(7-11)22-2)8-20-6-5-17-13-14(16)18-9-19-15(13)20/h3-7,9,17H,8H2,1-2H3
InChIKeyYVRAALMHTLXGRH-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.05
Rot. Bonds4

About 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine

4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine (PubChem CID 176729390) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine.

Molecular Properties

Compound Name4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine
PubChem CID176729390
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine
SMILESCOc1ccc(CN2C=CNc3c(Cl)ncnc32)c(OC)c1
InChIInChI=1S/C15H15ClN4O2/c1-21-11-4-3-10(12(7-11)22-2)8-20-6-5-17-13-14(16)18-9-19-15(13)20/h3-7,9,17H,8H2,1-2H3
InChIKeyYVRAALMHTLXGRH-UHFFFAOYSA-N
XLogP3.05
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine 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

4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine-6,7-dione
CID 154663192
7-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 70886661
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
3-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyrazine
CID 178141497
2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole
CID 150222873
4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141301468
1-[(2,4-dimethoxyphenyl)methyl]-2H-tetrazole-5-thione
CID 63363129
1-[(2,4-dimethoxyphenyl)methyl]-2H-pyrazine
CID 174982373
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine?
The IUPAC name of 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine (CID 176729390) is 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine.
What is the SMILES notation for 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine?
The canonical SMILES for 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine is COc1ccc(CN2C=CNc3c(Cl)ncnc32)c(OC)c1.
What is the InChIKey of 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine?
The InChIKey is YVRAALMHTLXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-21-11-4-3-10(12(7-11)22-2)8-20-6-5-17-13-14(16)18-9-19-15(13)20/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine?
4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine has a molecular weight of 318.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-[(2,4-dimethoxyphenyl)methyl]-5H-pteridine is sourced from PubChem (CID 176729390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).