6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

C13H12ClN7 — CID 106194435

IUPAC6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(-c2ccccc2)n1)c1nn[nH]n1
InChIInChI=1S/C13H12ClN7/c1-8(12-18-20-21-19-12)15-11-7-10(14)16-13(17-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)(H,18,19,20,21)
InChIKeyIRRLTOFDUKNPGQ-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.48
Rot. Bonds4

About 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106194435) has the molecular formula C13H12ClN7 and a molecular weight of 301.74 g/mol. Its IUPAC name is 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106194435
Molecular FormulaC13H12ClN7
Molecular Weight301.74 g/mol
Exact Mass301.08
IUPAC Name6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(-c2ccccc2)n1)c1nn[nH]n1
InChIInChI=1S/C13H12ClN7/c1-8(12-18-20-21-19-12)15-11-7-10(14)16-13(17-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)(H,18,19,20,21)
InChIKeyIRRLTOFDUKNPGQ-UHFFFAOYSA-N
XLogP2.48
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (CID 106194435) is 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is CC(Nc1cc(Cl)nc(-c2ccccc2)n1)c1nn[nH]n1.
What is the InChIKey of 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is IRRLTOFDUKNPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN7/c1-8(12-18-20-21-19-12)15-11-7-10(14)16-13(17-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)(H,18,19,20,21).
What are the key properties of 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 301.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106194435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).