2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine

C17H13N7O — CID 10125821

IUPAC2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine
SMILESCOc1ncc(-c2cccc(-n3nnc(-c4ccccn4)n3)c2)cn1
InChIInChI=1S/C17H13N7O/c1-25-17-19-10-13(11-20-17)12-5-4-6-14(9-12)24-22-16(21-23-24)15-7-2-3-8-18-15/h2-11H,1H3
InChIKeyZYMZYPITWAKBMK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.19
Rot. Bonds4

About 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine

2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine (PubChem CID 10125821) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine
PubChem CID10125821
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine
SMILESCOc1ncc(-c2cccc(-n3nnc(-c4ccccn4)n3)c2)cn1
InChIInChI=1S/C17H13N7O/c1-25-17-19-10-13(11-20-17)12-5-4-6-14(9-12)24-22-16(21-23-24)15-7-2-3-8-18-15/h2-11H,1H3
InChIKeyZYMZYPITWAKBMK-UHFFFAOYSA-N
XLogP2.19
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine (CID 10125821) is 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine is COc1ncc(-c2cccc(-n3nnc(-c4ccccn4)n3)c2)cn1.
What is the InChIKey of 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine?
The InChIKey is ZYMZYPITWAKBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c1-25-17-19-10-13(11-20-17)12-5-4-6-14(9-12)24-22-16(21-23-24)15-7-2-3-8-18-15/h2-11H,1H3.
What are the key properties of 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine?
2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine has a molecular weight of 331.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 10125821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).