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

C12H8Cl2N6 — CID 71240876

IUPAC4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine
SMILESCc1c(-c2ccc(Cl)c(Cl)c2)ncnc1-c1nn[nH]n1
InChIInChI=1S/C12H8Cl2N6/c1-6-10(7-2-3-8(13)9(14)4-7)15-5-16-11(6)12-17-19-20-18-12/h2-5H,1H3,(H,17,18,19,20)
InChIKeyPXABUDIXTXUYAR-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.94
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine (PubChem CID 71240876) has the molecular formula C12H8Cl2N6 and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine
PubChem CID71240876
Molecular FormulaC12H8Cl2N6
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC Name4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine
SMILESCc1c(-c2ccc(Cl)c(Cl)c2)ncnc1-c1nn[nH]n1
InChIInChI=1S/C12H8Cl2N6/c1-6-10(7-2-3-8(13)9(14)4-7)15-5-16-11(6)12-17-19-20-18-12/h2-5H,1H3,(H,17,18,19,20)
InChIKeyPXABUDIXTXUYAR-UHFFFAOYSA-N
XLogP2.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.94
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)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine (CID 71240876) is 4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine is Cc1c(-c2ccc(Cl)c(Cl)c2)ncnc1-c1nn[nH]n1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine?
The InChIKey is PXABUDIXTXUYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N6/c1-6-10(7-2-3-8(13)9(14)4-7)15-5-16-11(6)12-17-19-20-18-12/h2-5H,1H3,(H,17,18,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine?
4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine has a molecular weight of 307.14 g/mol, XLogP of 2.94, 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)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine is sourced from PubChem (CID 71240876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).