2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine

C11H15ClFN3 — CID 79076306

IUPAC2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1CCC(C)N(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H15ClFN3/c1-7-3-4-8(2)16(6-7)10-9(13)5-14-11(12)15-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyRCZCPQLUDFJPTG-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.89
Rot. Bonds1

About 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine

2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine (PubChem CID 79076306) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
PubChem CID79076306
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1CCC(C)N(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H15ClFN3/c1-7-3-4-8(2)16(6-7)10-9(13)5-14-11(12)15-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyRCZCPQLUDFJPTG-UHFFFAOYSA-N
XLogP2.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943298
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
5-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79081457
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
5-chloro-4-(2,5-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971373
5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 80847335
2,5-dichloro-4-(3-methylpiperidin-1-yl)pyrimidine
CID 79633490
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80806637
2-chloro-5-fluoro-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 79076200
2-chloro-4-(4-chloro-3-methylpyrazol-1-yl)-5-fluoropyrimidine
CID 79076106
2-(2,5-dimethylpiperidin-1-yl)-6-methylpyridin-3-amine
CID 81132345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine (CID 79076306) is 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine is CC1CCC(C)N(c2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The InChIKey is RCZCPQLUDFJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-7-3-4-8(2)16(6-7)10-9(13)5-14-11(12)15-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine has a molecular weight of 243.71 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 79076306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).