2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine

C15H12Cl2N4 — CID 157045018

IUPAC2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine
SMILESCc1cc(Cl)ccc1-c1nc(Cl)nc2nc(C)c(C)nc12
InChIInChI=1S/C15H12Cl2N4/c1-7-6-10(16)4-5-11(7)12-13-14(21-15(17)20-12)19-9(3)8(2)18-13/h4-6H,1-3H3
InChIKeyTZTGNRQNCYEFCU-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.32
Rot. Bonds1

About 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine

2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine (PubChem CID 157045018) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine
PubChem CID157045018
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine
SMILESCc1cc(Cl)ccc1-c1nc(Cl)nc2nc(C)c(C)nc12
InChIInChI=1S/C15H12Cl2N4/c1-7-6-10(16)4-5-11(7)12-13-14(21-15(17)20-12)19-9(3)8(2)18-13/h4-6H,1-3H3
InChIKeyTZTGNRQNCYEFCU-UHFFFAOYSA-N
XLogP4.32
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine?
The IUPAC name of 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine (CID 157045018) is 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine.
What is the SMILES notation for 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine?
The canonical SMILES for 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine is Cc1cc(Cl)ccc1-c1nc(Cl)nc2nc(C)c(C)nc12.
What is the InChIKey of 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine?
The InChIKey is TZTGNRQNCYEFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-7-6-10(16)4-5-11(7)12-13-14(21-15(17)20-12)19-9(3)8(2)18-13/h4-6H,1-3H3.
What are the key properties of 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine?
2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine has a molecular weight of 319.20 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-2-methylphenyl)-6,7-dimethylpteridine is sourced from PubChem (CID 157045018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).