4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine

C11H6Cl2N6 — CID 53328211

IUPAC4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine
SMILESClc1ccc(-c2cc(-c3nn[nH]n3)ncn2)cc1Cl
InChIInChI=1S/C11H6Cl2N6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11/h1-5H,(H,16,17,18,19)
InChIKeyMTOCMLGOPYERKW-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.63
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine

4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine (PubChem CID 53328211) has the molecular formula C11H6Cl2N6 and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine
PubChem CID53328211
Molecular FormulaC11H6Cl2N6
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine
SMILESClc1ccc(-c2cc(-c3nn[nH]n3)ncn2)cc1Cl
InChIInChI=1S/C11H6Cl2N6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11/h1-5H,(H,16,17,18,19)
InChIKeyMTOCMLGOPYERKW-UHFFFAOYSA-N
XLogP2.63
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine (CID 53328211) is 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine is Clc1ccc(-c2cc(-c3nn[nH]n3)ncn2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
The InChIKey is MTOCMLGOPYERKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11/h1-5H,(H,16,17,18,19).
What are the key properties of 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine has a molecular weight of 293.12 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine is sourced from PubChem (CID 53328211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).