5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

C17H17F2N7O2 — CID 123327463

IUPAC5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2nnn(C(F)F)n2)nc1
InChIInChI=1S/C17H17F2N7O2/c1-9-20-7-13(15-23-25-26(24-15)17(18)19)16(22-9)28-8-10-5-12(10)14-4-3-11(27-2)6-21-14/h3-4,6-7,10,12,17H,5,8H2,1-2H3
InChIKeyQXKFHAWULXWVST-UHFFFAOYSA-N
MW389.37 g/mol
LogP2.42
Rot. Bonds7

About 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (PubChem CID 123327463) has the molecular formula C17H17F2N7O2 and a molecular weight of 389.37 g/mol. Its IUPAC name is 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
PubChem CID123327463
Molecular FormulaC17H17F2N7O2
Molecular Weight389.37 g/mol
Exact Mass389.14
IUPAC Name5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2nnn(C(F)F)n2)nc1
InChIInChI=1S/C17H17F2N7O2/c1-9-20-7-13(15-23-25-26(24-15)17(18)19)16(22-9)28-8-10-5-12(10)14-4-3-11(27-2)6-21-14/h3-4,6-7,10,12,17H,5,8H2,1-2H3
InChIKeyQXKFHAWULXWVST-UHFFFAOYSA-N
XLogP2.42
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine with MolForge

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Related Compounds

Methyl substituted pyrazole, 28
CID 23648676
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-14,17-dioxa-5,8,10,19,20,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),20,22-heptaen-9-one
CID 163278998
(7R,11S)-11-(3,3-difluorobutyl)-8-ethyl-3-methoxy-7-methyl-14,17-dioxa-5,8,10,19,20,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),20,22-heptaen-9-one
CID 163279041
5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 156022737
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
US9765058, Example 2-2-10
CID 86580572
6-Methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 162650276
4-[3-(2-Cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylbutan-2-ol
CID 162652517

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The IUPAC name of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (CID 123327463) is 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is COc1ccc(C2CC2COc2nc(C)ncc2-c2nnn(C(F)F)n2)nc1.
What is the InChIKey of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The InChIKey is QXKFHAWULXWVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O2/c1-9-20-7-13(15-23-25-26(24-15)17(18)19)16(22-9)28-8-10-5-12(10)14-4-3-11(27-2)6-21-14/h3-4,6-7,10,12,17H,5,8H2,1-2H3.
What are the key properties of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine has a molecular weight of 389.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is sourced from PubChem (CID 123327463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).