5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

C21H26FN3O2 — CID 90182257

IUPAC5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2(F)CCCCC2)nc1
InChIInChI=1S/C21H26FN3O2/c1-14-23-12-18(21(22)8-4-3-5-9-21)20(25-14)27-13-15-10-17(15)19-7-6-16(26-2)11-24-19/h6-7,11-12,15,17H,3-5,8-10,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyHMEOPNWITWVFKD-WBVHZDCISA-N
MW371.46 g/mol
LogP4.50
Rot. Bonds6

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

5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (PubChem CID 90182257) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
PubChem CID90182257
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2(F)CCCCC2)nc1
InChIInChI=1S/C21H26FN3O2/c1-14-23-12-18(21(22)8-4-3-5-9-21)20(25-14)27-13-15-10-17(15)19-7-6-16(26-2)11-24-19/h6-7,11-12,15,17H,3-5,8-10,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyHMEOPNWITWVFKD-WBVHZDCISA-N
XLogP4.50
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The IUPAC name of 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (CID 90182257) is 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2C2(F)CCCCC2)nc1.
What is the InChIKey of 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The InChIKey is HMEOPNWITWVFKD-WBVHZDCISA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-23-12-18(21(22)8-4-3-5-9-21)20(25-14)27-13-15-10-17(15)19-7-6-16(26-2)11-24-19/h6-7,11-12,15,17H,3-5,8-10,13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine has a molecular weight of 371.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclohexyl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is sourced from PubChem (CID 90182257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).