5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine

C19H17N7 — CID 3610610

IUPAC5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
SMILESCCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N7/c1-2-13-8-10-15(11-9-13)26-18(23-24-25-26)16-12-21-19(20)22-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21,22)
InChIKeyHKWOOAWGXGYDJW-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.93
Rot. Bonds4

About 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine

5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine (PubChem CID 3610610) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
PubChem CID3610610
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
SMILESCCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C19H17N7/c1-2-13-8-10-15(11-9-13)26-18(23-24-25-26)16-12-21-19(20)22-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21,22)
InChIKeyHKWOOAWGXGYDJW-UHFFFAOYSA-N
XLogP2.93
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine (CID 3610610) is 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine is CCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The InChIKey is HKWOOAWGXGYDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-2-13-8-10-15(11-9-13)26-18(23-24-25-26)16-12-21-19(20)22-17(16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21,22).
What are the key properties of 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-ethylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 3610610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).