4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine

C11H16FN3O — CID 107394076

IUPAC4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
SMILESCOC1(C)CCCN(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c1-11(16-2)4-3-5-15(7-11)10-6-9(12)13-8-14-10/h6,8H,3-5,7H2,1-2H3
InChIKeyFIUPLLJNPIAIIM-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.62
Rot. Bonds2

About 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine

4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine (PubChem CID 107394076) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
PubChem CID107394076
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine
SMILESCOC1(C)CCCN(c2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c1-11(16-2)4-3-5-15(7-11)10-6-9(12)13-8-14-10/h6,8H,3-5,7H2,1-2H3
InChIKeyFIUPLLJNPIAIIM-UHFFFAOYSA-N
XLogP1.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112856006
4-[6-(3,3-Dimethylpiperidin-1-yl)pyrimidin-4-yl]morpholine
CID 155555557
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 72856404
1-[Methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
6-(2,6-dimethylmorpholino)-N,N-dimethylpyrimidin-4-amine
CID 121020739
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 136583774
4-[(3S)-3-methoxypiperidin-1-yl]-2-propan-2-ylpyrimidine
CID 164632090
(Rac)-6-fluoro-2-((1-methylpiperidin-3-yl)oxy)pyrimidin-4-amine
CID 118936849
4,6-Difluoro-2-(1-methylpiperidin-3-yl)oxypyrimidine
CID 156105795
2-[(3S,5R)-3-fluoro-5-methoxypiperidin-1-yl]pyrimidin-4-amine
CID 156550443
Tert-butyl 1-(6-fluoropyrimidin-4-yl)piperidine-4-carboxylate
CID 162376382
N,N-dimethyl-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56862807

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine (CID 107394076) is 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine is COC1(C)CCCN(c2cc(F)ncn2)C1.
What is the InChIKey of 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
The InChIKey is FIUPLLJNPIAIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(16-2)4-3-5-15(7-11)10-6-9(12)13-8-14-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine?
4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine has a molecular weight of 225.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 107394076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).