2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine

C21H21N7O2 — CID 53319216

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4nn[nH]n4)c3)nc(OC)n2)cc1
InChIInChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28)
InChIKeyVZAYIOWOPXUAJH-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.00
Rot. Bonds8

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 53319216) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID53319216
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4nn[nH]n4)c3)nc(OC)n2)cc1
InChIInChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28)
InChIKeyVZAYIOWOPXUAJH-UHFFFAOYSA-N
XLogP3.00
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (CID 53319216) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cccc(-c4nn[nH]n4)c3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is VZAYIOWOPXUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 403.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 53319216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).