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

C18H15N7 — CID 2825873

IUPAC5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
SMILESCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H15N7/c1-12-7-9-14(10-8-12)25-17(22-23-24-25)15-11-20-18(19)21-16(15)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21)
InChIKeyPCSRJOYUPVIWNV-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.68
Rot. Bonds3

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

5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine (PubChem CID 2825873) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
PubChem CID2825873
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine
SMILESCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H15N7/c1-12-7-9-14(10-8-12)25-17(22-23-24-25)15-11-20-18(19)21-16(15)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21)
InChIKeyPCSRJOYUPVIWNV-UHFFFAOYSA-N
XLogP2.68
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine (CID 2825873) is 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine is Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
The InChIKey is PCSRJOYUPVIWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c1-12-7-9-14(10-8-12)25-17(22-23-24-25)15-11-20-18(19)21-16(15)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21).
What are the key properties of 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine?
5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine has a molecular weight of 329.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)tetrazol-5-yl]-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 2825873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).