4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine

C14H11ClN6 — CID 71239351

IUPAC4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine
SMILESClc1cc(-c2cc(-c3nn[nH]n3)ncn2)ccc1C1CC1
InChIInChI=1S/C14H11ClN6/c15-11-5-9(3-4-10(11)8-1-2-8)12-6-13(17-7-16-12)14-18-20-21-19-14/h3-8H,1-2H2,(H,18,19,20,21)
InChIKeyJGWIIBXUIIULAR-UHFFFAOYSA-N
MW298.74 g/mol
LogP2.85
Rot. Bonds3

About 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine

4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine (PubChem CID 71239351) has the molecular formula C14H11ClN6 and a molecular weight of 298.74 g/mol. Its IUPAC name is 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine
PubChem CID71239351
Molecular FormulaC14H11ClN6
Molecular Weight298.74 g/mol
Exact Mass298.07
IUPAC Name4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine
SMILESClc1cc(-c2cc(-c3nn[nH]n3)ncn2)ccc1C1CC1
InChIInChI=1S/C14H11ClN6/c15-11-5-9(3-4-10(11)8-1-2-8)12-6-13(17-7-16-12)14-18-20-21-19-14/h3-8H,1-2H2,(H,18,19,20,21)
InChIKeyJGWIIBXUIIULAR-UHFFFAOYSA-N
XLogP2.85
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
The IUPAC name of 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine (CID 71239351) is 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine.
What is the SMILES notation for 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
The canonical SMILES for 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine is Clc1cc(-c2cc(-c3nn[nH]n3)ncn2)ccc1C1CC1.
What is the InChIKey of 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
The InChIKey is JGWIIBXUIIULAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6/c15-11-5-9(3-4-10(11)8-1-2-8)12-6-13(17-7-16-12)14-18-20-21-19-14/h3-8H,1-2H2,(H,18,19,20,21).
What are the key properties of 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine?
4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine has a molecular weight of 298.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine is sourced from PubChem (CID 71239351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).