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

C22H23N7O3 — CID 53325847

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(OC)c(-c4nn[nH]n4)c3)nc(OC)n2)cc1
InChIInChI=1S/C22H23N7O3/c1-30-16-7-4-14(5-8-16)10-11-23-20-13-18(24-22(25-20)32-3)15-6-9-19(31-2)17(12-15)21-26-28-29-27-21/h4-9,12-13H,10-11H2,1-3H3,(H,23,24,25)(H,26,27,28,29)
InChIKeyXVKNAKDNRLOTHB-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.00
Rot. Bonds9

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

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 53325847) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID53325847
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3ccc(OC)c(-c4nn[nH]n4)c3)nc(OC)n2)cc1
InChIInChI=1S/C22H23N7O3/c1-30-16-7-4-14(5-8-16)10-11-23-20-13-18(24-22(25-20)32-3)15-6-9-19(31-2)17(12-15)21-26-28-29-27-21/h4-9,12-13H,10-11H2,1-3H3,(H,23,24,25)(H,26,27,28,29)
InChIKeyXVKNAKDNRLOTHB-UHFFFAOYSA-N
XLogP3.00
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine (CID 53325847) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3ccc(OC)c(-c4nn[nH]n4)c3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is XVKNAKDNRLOTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-30-16-7-4-14(5-8-16)10-11-23-20-13-18(24-22(25-20)32-3)15-6-9-19(31-2)17(12-15)21-26-28-29-27-21/h4-9,12-13H,10-11H2,1-3H3,(H,23,24,25)(H,26,27,28,29).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 433.47 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 53325847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).