(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H18ClN5O2 — CID 136852417

IUPAC(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C19H18ClN5O2/c1-3-27-17-9-6-13(10-18(17)26-2)16-11-15(12-4-7-14(20)8-5-12)21-19-22-23-24-25(16)19/h4-11,16H,3H2,1-2H3,(H,21,22,24)/t16-/m1/s1
InChIKeyOECMLEYUSXZMID-MRXNPFEDSA-N
MW383.84 g/mol
LogP3.79
Rot. Bonds5

About (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136852417) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136852417
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCCOc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1OC
InChIInChI=1S/C19H18ClN5O2/c1-3-27-17-9-6-13(10-18(17)26-2)16-11-15(12-4-7-14(20)8-5-12)21-19-22-23-24-25(16)19/h4-11,16H,3H2,1-2H3,(H,21,22,24)/t16-/m1/s1
InChIKeyOECMLEYUSXZMID-MRXNPFEDSA-N
XLogP3.79
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(7S)-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1088421
(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136852419
5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3525349
7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3155612
(7R)-7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736497
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
(7R)-5-(4-chlorophenyl)-7-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136830723
5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3383591
5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol
CID 3551894
7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3149402
5-(3-chloro-4-ethoxyphenyl)-7-(2-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4100616
7-(4-ethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662198

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136852417) is (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is CCOc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1OC.
What is the InChIKey of (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is OECMLEYUSXZMID-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-3-27-17-9-6-13(10-18(17)26-2)16-11-15(12-4-7-14(20)8-5-12)21-19-22-23-24-25(16)19/h4-11,16H,3H2,1-2H3,(H,21,22,24)/t16-/m1/s1.
What are the key properties of (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 383.84 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136852417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).