7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H17F2N5O3 — CID 3243216

IUPAC7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3cccc(OC)c3OC(F)F)n3nnnc3N2)c1
InChIInChI=1S/C19H17F2N5O3/c1-27-12-6-3-5-11(9-12)14-10-15(26-19(22-14)23-24-25-26)13-7-4-8-16(28-2)17(13)29-18(20)21/h3-10,15,18H,1-2H3,(H,22,23,25)
InChIKeyPPMDCPKQYZXTRF-UHFFFAOYSA-N
MW401.37 g/mol
LogP3.35
Rot. Bonds6

About 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3243216) has the molecular formula C19H17F2N5O3 and a molecular weight of 401.37 g/mol. Its IUPAC name is 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3243216
Molecular FormulaC19H17F2N5O3
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cccc(C2=CC(c3cccc(OC)c3OC(F)F)n3nnnc3N2)c1
InChIInChI=1S/C19H17F2N5O3/c1-27-12-6-3-5-11(9-12)14-10-15(26-19(22-14)23-24-25-26)13-7-4-8-16(28-2)17(13)29-18(20)21/h3-10,15,18H,1-2H3,(H,22,23,25)
InChIKeyPPMDCPKQYZXTRF-UHFFFAOYSA-N
XLogP3.35
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3243216) is 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cccc(C2=CC(c3cccc(OC)c3OC(F)F)n3nnnc3N2)c1.
What is the InChIKey of 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is PPMDCPKQYZXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3/c1-27-12-6-3-5-11(9-12)14-10-15(26-19(22-14)23-24-25-26)13-7-4-8-16(28-2)17(13)29-18(20)21/h3-10,15,18H,1-2H3,(H,22,23,25).
What are the key properties of 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 401.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3243216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).