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

C18H14ClN7 — CID 2825682

IUPAC4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
SMILESCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClN7/c1-11-2-8-14(9-3-11)26-17(23-24-25-26)15-10-21-18(20)22-16(15)12-4-6-13(19)7-5-12/h2-10H,1H3,(H2,20,21,22)
InChIKeyQHHYYMKGAHSZMY-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.33
Rot. Bonds3

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

4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine (PubChem CID 2825682) has the molecular formula C18H14ClN7 and a molecular weight of 363.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
PubChem CID2825682
Molecular FormulaC18H14ClN7
Molecular Weight363.81 g/mol
Exact Mass363.10
IUPAC Name4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine
SMILESCc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H14ClN7/c1-11-2-8-14(9-3-11)26-17(23-24-25-26)15-10-21-18(20)22-16(15)12-4-6-13(19)7-5-12/h2-10H,1H3,(H2,20,21,22)
InChIKeyQHHYYMKGAHSZMY-UHFFFAOYSA-N
XLogP3.33
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine (CID 2825682) is 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine is Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine?
The InChIKey is QHHYYMKGAHSZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7/c1-11-2-8-14(9-3-11)26-17(23-24-25-26)15-10-21-18(20)22-16(15)12-4-6-13(19)7-5-12/h2-10H,1H3,(H2,20,21,22).
What are the key properties of 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine?
4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine has a molecular weight of 363.81 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[1-(4-methylphenyl)tetrazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 2825682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).