4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine

C11H14N6O2S — CID 75866971

IUPAC4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine
SMILESCOc1ccnc(Sc2nnnn2CC2CCCO2)n1
InChIInChI=1S/C11H14N6O2S/c1-18-9-4-5-12-10(13-9)20-11-14-15-16-17(11)7-8-3-2-6-19-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyBJMZHLPERFTEHL-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.80
Rot. Bonds5

About 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine

4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine (PubChem CID 75866971) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine
PubChem CID75866971
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine
SMILESCOc1ccnc(Sc2nnnn2CC2CCCO2)n1
InChIInChI=1S/C11H14N6O2S/c1-18-9-4-5-12-10(13-9)20-11-14-15-16-17(11)7-8-3-2-6-19-8/h4-5,8H,2-3,6-7H2,1H3
InChIKeyBJMZHLPERFTEHL-UHFFFAOYSA-N
XLogP0.80
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine
CID 166251968
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51259859
3-tert-butyl-5-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 94020570
1-(2-methoxy-5-methylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylethanone
CID 94797823
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine
CID 16605629
N-[(4-methoxyphenyl)carbamoyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46640592
N-[2-(4-methoxyphenyl)ethyl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 51561653
2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-1-(4-propan-2-yloxyphenyl)ethanone
CID 52511255
2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
CID 75437933
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
1-(3-fluoro-4-methoxyphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 18099029

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine?
The IUPAC name of 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine (CID 75866971) is 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine.
What is the SMILES notation for 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine?
The canonical SMILES for 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine is COc1ccnc(Sc2nnnn2CC2CCCO2)n1.
What is the InChIKey of 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine?
The InChIKey is BJMZHLPERFTEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-18-9-4-5-12-10(13-9)20-11-14-15-16-17(11)7-8-3-2-6-19-8/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine?
4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine has a molecular weight of 294.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine is sourced from PubChem (CID 75866971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).