5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

C17H17F2N7O2 — CID 90182274

IUPAC5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(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/t10-,12+/m1/s1
InChIKeyQXKFHAWULXWVST-PWSUYJOCSA-N
MW389.37 g/mol
LogP2.42
Rot. Bonds7

About 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (PubChem CID 90182274) 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-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
PubChem CID90182274
Molecular FormulaC17H17F2N7O2
Molecular Weight389.37 g/mol
Exact Mass389.14
IUPAC Name5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(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/t10-,12+/m1/s1
InChIKeyQXKFHAWULXWVST-PWSUYJOCSA-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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The IUPAC name of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (CID 90182274) is 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2nnn(C(F)F)n2)nc1.
What is the InChIKey of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The InChIKey is QXKFHAWULXWVST-PWSUYJOCSA-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/t10-,12+/m1/s1.
What are the key properties of 5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
5-[2-(difluoromethyl)tetrazol-5-yl]-4-[[(1S,2S)-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-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is sourced from PubChem (CID 90182274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).