4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine

C22H22N8O2 — CID 123278187

IUPAC4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nnn(C)n3)nc2)nc1
InChIInChI=1S/C22H22N8O2/c1-13-23-11-18(14-4-6-20(24-9-14)21-27-29-30(2)28-21)22(26-13)32-12-15-8-17(15)19-7-5-16(31-3)10-25-19/h4-7,9-11,15,17H,8,12H2,1-3H3
InChIKeyWMGLHJSOUQDRMS-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.62
Rot. Bonds7

About 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine

4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine (PubChem CID 123278187) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
PubChem CID123278187
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nnn(C)n3)nc2)nc1
InChIInChI=1S/C22H22N8O2/c1-13-23-11-18(14-4-6-20(24-9-14)21-27-29-30(2)28-21)22(26-13)32-12-15-8-17(15)19-7-5-16(31-3)10-25-19/h4-7,9-11,15,17H,8,12H2,1-3H3
InChIKeyWMGLHJSOUQDRMS-UHFFFAOYSA-N
XLogP2.62
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine with MolForge

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Related Compounds

4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273
4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
5-(3-methoxy-1-methylpyrazol-5-yl)-4-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632580
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
CID 123269816
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methylpyridazin-3-one
CID 118434178
3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol
CID 123926099
[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 123265968
N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide
CID 144632643
3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
CID 123326964
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]pyrimidine
CID 71085899
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123583098

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine (CID 123278187) is 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine is COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3nnn(C)n3)nc2)nc1.
What is the InChIKey of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine?
The InChIKey is WMGLHJSOUQDRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-13-23-11-18(14-4-6-20(24-9-14)21-27-29-30(2)28-21)22(26-13)32-12-15-8-17(15)19-7-5-16(31-3)10-25-19/h4-7,9-11,15,17H,8,12H2,1-3H3.
What are the key properties of 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine?
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine has a molecular weight of 430.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 123278187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).