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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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
3-(4-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327846
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
N~4~-(2-Chlorophenyl)-N~2~-[4-(1h-Tetrazol-5-Yl)phenyl]pyrimidine-2,4-Diamine
CID 56587967
Bisanilinopyrimidine, 12b
CID 70702162
Bisanilinopyrimidine, 12d
CID 70702164
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
4-(2,4-Dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
CID 3695754
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789

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).