4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane

C13H12F2N6 — CID 144518924

IUPAC4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane
SMILESCC.Fc1ccc(-c2cc(-c3nn[nH]n3)ncn2)cc1F
InChIInChI=1S/C11H6F2N6.C2H6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11;1-2/h1-5H,(H,16,17,18,19);1-2H3
InChIKeyJNRAZSCZANHGTB-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.63
Rot. Bonds2

About 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane

4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane (PubChem CID 144518924) has the molecular formula C13H12F2N6 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane
PubChem CID144518924
Molecular FormulaC13H12F2N6
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane
SMILESCC.Fc1ccc(-c2cc(-c3nn[nH]n3)ncn2)cc1F
InChIInChI=1S/C11H6F2N6.C2H6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11;1-2/h1-5H,(H,16,17,18,19);1-2H3
InChIKeyJNRAZSCZANHGTB-UHFFFAOYSA-N
XLogP2.63
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
4-(3,4-difluorophenyl)-6-ethylpyrimidine
CID 57247663
4-(3-chloro-4-cyclopropylphenyl)-6-(2H-tetrazol-5-yl)pyrimidine
CID 71239351
4-[3-chloro-4-(cyclopropylmethoxy)phenyl]-6-(2H-tetrazol-5-yl)pyrimidine
CID 71240840
5-(4-bromo-3-fluorophenyl)-2H-tetrazole
CID 131599403
3-fluoro-2-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]phenol
CID 137336817
N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 56782452
[5-(3,4-difluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207937
2-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)pyridine
CID 90940369
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine
CID 71240876
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane?
The IUPAC name of 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane (CID 144518924) is 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane is CC.Fc1ccc(-c2cc(-c3nn[nH]n3)ncn2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane?
The InChIKey is JNRAZSCZANHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N6.C2H6/c12-7-2-1-6(3-8(7)13)9-4-10(15-5-14-9)11-16-18-19-17-11;1-2/h1-5H,(H,16,17,18,19);1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane?
4-(3,4-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane has a molecular weight of 290.28 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-difluorophenyl)-6-(2H-tetrazol-5-yl)pyrimidine;ethane is sourced from PubChem (CID 144518924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).