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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Related Compounds

4-[3-chloro-4-(cyclopropylmethoxy)phenyl]-6-(2H-tetrazol-5-yl)pyrimidine
CID 71240840
4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane
CID 144518924
4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine
CID 71240876
(Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine
CID 137203781
4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 170449646
5-(5,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2H-tetrazole
CID 118900080
[6-(4-cyclopropylphenyl)pyrimidin-4-yl]methanamine
CID 118008230
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1,2,3,4-tetrahydroquinoline
CID 123835432
5-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-2H-tetrazole
CID 67032499
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
6-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 50972207

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).