2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine

C12H18FN3O2 — CID 172880777

IUPAC2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(N2CCCC(CF)C2)n1
InChIInChI=1S/C12H18FN3O2/c1-17-10-6-11(18-2)15-12(14-10)16-5-3-4-9(7-13)8-16/h6,9H,3-5,7-8H2,1-2H3
InChIKeyDLSJJXLGJWRMCS-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine

2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine (PubChem CID 172880777) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
PubChem CID172880777
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(N2CCCC(CF)C2)n1
InChIInChI=1S/C12H18FN3O2/c1-17-10-6-11(18-2)15-12(14-10)16-5-3-4-9(7-13)8-16/h6,9H,3-5,7-8H2,1-2H3
InChIKeyDLSJJXLGJWRMCS-UHFFFAOYSA-N
XLogP1.68
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163355020
2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
CID 163357902
(3R)-1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 136582876
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 171324316
2-(3-bromopyrrolidin-1-yl)-4,6-dimethoxypyrimidine
CID 115355746
2-[4-(chloromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
CID 113293068
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63392500
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
CID 113293006
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
The IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine (CID 172880777) is 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine is COc1cc(OC)nc(N2CCCC(CF)C2)n1.
What is the InChIKey of 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
The InChIKey is DLSJJXLGJWRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-17-10-6-11(18-2)15-12(14-10)16-5-3-4-9(7-13)8-16/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine has a molecular weight of 255.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine is sourced from PubChem (CID 172880777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).