4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine

C12H15ClF3N3O — CID 106767862

IUPAC4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCOCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15ClF3N3O/c1-20-7-8-2-4-19(5-3-8)10-6-9(13)17-11(18-10)12(14,15)16/h6,8H,2-5,7H2,1H3
InChIKeyQMJROUFKGNMQQU-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.01
Rot. Bonds3

About 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine

4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine (PubChem CID 106767862) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
PubChem CID106767862
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCOCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15ClF3N3O/c1-20-7-8-2-4-19(5-3-8)10-6-9(13)17-11(18-10)12(14,15)16/h6,8H,2-5,7H2,1H3
InChIKeyQMJROUFKGNMQQU-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(2-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylate
CID 1481815
4,6-Dichloro-2-(oxan-4-yl)pyrimidine
CID 59198373
6-Chloro-2-(oxan-4-yl)pyrimidin-4-amine
CID 138039841
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
CID 46738256
4-Chloro-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidine
CID 65532179
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 106766891
4-[6-Chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]morpholine
CID 144739899
(2S)-4-[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-2-methylmorpholine
CID 144739983
(2S)-2-[[6-chloro-2-(3,3-difluorocyclobutyl)pyrimidin-4-yl]-methylamino]-3-methylbutan-1-ol
CID 152877406
4-Chloro-6-fluoro-2-(1-methylpiperidin-3-yl)oxypyrimidine
CID 156105797
(3S)-4-[6-chloro-2-(2,2-difluoro-3-methylcyclopropyl)pyrimidin-4-yl]-3-ethylmorpholine
CID 173758058
(2S)-4-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]-2-ethylmorpholine
CID 173767728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine (CID 106767862) is 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine is COCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is QMJROUFKGNMQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c1-20-7-8-2-4-19(5-3-8)10-6-9(13)17-11(18-10)12(14,15)16/h6,8H,2-5,7H2,1H3.
What are the key properties of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 309.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106767862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).