8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine

C16H11ClFN7 — CID 168758989

IUPAC8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nnnc23)cc(Cl)n1
InChIInChI=1S/C16H11ClFN7/c1-8-6-10(7-12(17)20-8)13-14(9-2-4-11(18)5-3-9)21-16(19)25-15(13)22-23-24-25/h2-7H,1H3,(H2,19,21)
InChIKeyZGEGLXNRBZKHTQ-UHFFFAOYSA-N
MW355.76 g/mol
LogP2.93
Rot. Bonds2

About 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine

8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine (PubChem CID 168758989) has the molecular formula C16H11ClFN7 and a molecular weight of 355.76 g/mol. Its IUPAC name is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine
PubChem CID168758989
Molecular FormulaC16H11ClFN7
Molecular Weight355.76 g/mol
Exact Mass355.07
IUPAC Name8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nnnc23)cc(Cl)n1
InChIInChI=1S/C16H11ClFN7/c1-8-6-10(7-12(17)20-8)13-14(9-2-4-11(18)5-3-9)21-16(19)25-15(13)22-23-24-25/h2-7H,1H3,(H2,19,21)
InChIKeyZGEGLXNRBZKHTQ-UHFFFAOYSA-N
XLogP2.93
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine
CID 168758981
8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387201
5-amino-8-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile
CID 146387209
2-[(2,6-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490911
5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 137372402
8-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-7-(4-fluorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 142427017
(6Z)-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-4-(4-fluorophenyl)-6-hydrazinylidenepyrimidine-1,2-diamine
CID 168893304
[5-amino-8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;[5-amino-7-(4-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol;8-(2H-benzotriazol-5-yl)-7-(4-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluorophenyl)-2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 161080827
8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387154
8-(2-chloro-6-methyl-4-pyridinyl)-2-[(3-fluoro-2-pyridinyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146490611
6-(2-chloro-6-methyl-4-pyridinyl)-5-(2,5-difluorophenyl)-1,2,4-triazin-3-amine
CID 87371295
4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine (CID 168758989) is 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nnnc23)cc(Cl)n1.
What is the InChIKey of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is ZGEGLXNRBZKHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN7/c1-8-6-10(7-12(17)20-8)13-14(9-2-4-11(18)5-3-9)21-16(19)25-15(13)22-23-24-25/h2-7H,1H3,(H2,19,21).
What are the key properties of 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine?
8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 355.76 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)tetrazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 168758989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).