1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol

C11H16FN3O — CID 107405827

IUPAC1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C11H16FN3O/c1-11(16)3-2-5-15(6-4-11)10-7-9(12)13-8-14-10/h7-8,16H,2-6H2,1H3
InChIKeyDCOJVFJFMCLFER-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.36
Rot. Bonds1

About 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol

1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 107405827) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID107405827
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C11H16FN3O/c1-11(16)3-2-5-15(6-4-11)10-7-9(12)13-8-14-10/h7-8,16H,2-6H2,1H3
InChIKeyDCOJVFJFMCLFER-UHFFFAOYSA-N
XLogP1.36
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4S)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550216
2-[(3S,4R)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550217
2-[(4R)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 138550218
2-[1-(6-Chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 156493784
2-[(4S)-1-(6-chloropyrimidin-4-yl)-4-fluoropyrrolidin-3-yl]propan-2-ol
CID 169689236
1-(6-Fluoropyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103357375
3-[[(6-Fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116910
1-[(6-Fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293599
1-[1-(6-Fluoropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836952
2-[1-(6-Fluoropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228401
4-Fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
CID 107394076
1-(2-Chloro-5-fluoropyrimidin-4-yl)-4-methylazepan-4-ol
CID 107405805

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol (CID 107405827) is 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2cc(F)ncn2)CC1.
What is the InChIKey of 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is DCOJVFJFMCLFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(16)3-2-5-15(6-4-11)10-7-9(12)13-8-14-10/h7-8,16H,2-6H2,1H3.
What are the key properties of 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol?
1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 225.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107405827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).