4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine

C20H18N6O — CID 174388686

IUPAC4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine
SMILESCOc1nc(C)nc(-c2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c1C
InChIInChI=1S/C20H18N6O/c1-12-18(21-13(2)22-20(12)27-3)15-9-10-16(14-7-5-4-6-8-14)17(11-15)19-23-25-26-24-19/h4-11H,1-3H3,(H,23,24,25,26)
InChIKeyFPIQTHKZYVXHRQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.62
Rot. Bonds4

About 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine

4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine (PubChem CID 174388686) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine
PubChem CID174388686
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine
SMILESCOc1nc(C)nc(-c2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c1C
InChIInChI=1S/C20H18N6O/c1-12-18(21-13(2)22-20(12)27-3)15-9-10-16(14-7-5-4-6-8-14)17(11-15)19-23-25-26-24-19/h4-11H,1-3H3,(H,23,24,25,26)
InChIKeyFPIQTHKZYVXHRQ-UHFFFAOYSA-N
XLogP3.62
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-2,6-dimethyl-5-phenylmethoxy-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine
CID 174271702
[2-ethyl-5-methoxy-6-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methanol
CID 174274371
3-methoxy-2,6-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine
CID 151578231
ethyl 6-ethyl-5-methoxy-2-methyl-4-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyridine-3-carboxylate
CID 174296805
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
2-methyl-N-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine;hydrate
CID 67835163
2-[6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-yl]oxyacetic acid
CID 154323592
2-(methoxymethyl)-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57281004
2,6-dimethyl-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]-3-pyridin-2-ylpyridine
CID 57206384
4-[4-(methoxymethyl)-3-methylphenyl]-3-(2H-tetrazol-5-yl)aniline
CID 135178692
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
CID 172761418

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine?
The IUPAC name of 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine (CID 174388686) is 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine?
The canonical SMILES for 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine is COc1nc(C)nc(-c2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)c1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine?
The InChIKey is FPIQTHKZYVXHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-12-18(21-13(2)22-20(12)27-3)15-9-10-16(14-7-5-4-6-8-14)17(11-15)19-23-25-26-24-19/h4-11H,1-3H3,(H,23,24,25,26).
What are the key properties of 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine?
4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine has a molecular weight of 358.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-6-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 174388686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).