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

C12H18FN3O2 — CID 172880740

IUPAC2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(N2CCC(CF)CC2)n1
InChIInChI=1S/C12H18FN3O2/c1-17-10-7-11(18-2)15-12(14-10)16-5-3-9(8-13)4-6-16/h7,9H,3-6,8H2,1-2H3
InChIKeyUCBZKXDAZAVEEB-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.68
Rot. Bonds4

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

2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine (PubChem CID 172880740) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
PubChem CID172880740
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(N2CCC(CF)CC2)n1
InChIInChI=1S/C12H18FN3O2/c1-17-10-7-11(18-2)15-12(14-10)16-5-3-9(8-13)4-6-16/h7,9H,3-6,8H2,1-2H3
InChIKeyUCBZKXDAZAVEEB-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-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 9583216
4,6-Dimethoxy-2-piperidin-4-ylpyrimidine
CID 2761142
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 25269752
N'-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 2801433
6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 91660989
4,6-dimethoxy-2-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 97436266
N-({1-[Ethyl(methyl)amino]cyclopentyl}methyl)-4,6-dimethoxypyrimidin-2-amine
CID 122562983
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4,6-dimethoxypyrimidin-2-amine
CID 164638252
(3S,4S)-1-(4,6-dimethoxypyrimidin-2-yl)-4-ethylpiperidine-3,4-diol
CID 164639809
(4S)-1-(4,6-dimethoxypyrimidin-2-yl)-4-ethylazepane
CID 164640513

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
The IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine (CID 172880740) is 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine is COc1cc(OC)nc(N2CCC(CF)CC2)n1.
What is the InChIKey of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
The InChIKey is UCBZKXDAZAVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-17-10-7-11(18-2)15-12(14-10)16-5-3-9(8-13)4-6-16/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine?
2-[4-(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-[4-(fluoromethyl)piperidin-1-yl]-4,6-dimethoxypyrimidine is sourced from PubChem (CID 172880740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).