4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine

C11H15ClFN3 — CID 59341121

IUPAC4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1CC(C)CN(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C11H15ClFN3/c1-7-3-8(2)5-16(4-7)11-9(13)10(12)14-6-15-11/h6-8H,3-5H2,1-2H3
InChIKeyNOFRIZWANHIBPS-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.75
Rot. Bonds1

About 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine

4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine (PubChem CID 59341121) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
PubChem CID59341121
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1CC(C)CN(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C11H15ClFN3/c1-7-3-8(2)5-16(4-7)11-9(13)10(12)14-6-15-11/h6-8H,3-5H2,1-2H3
InChIKeyNOFRIZWANHIBPS-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
4-Chloro-6-(2-ethenylpiperidin-1-yl)-5-fluoropyrimidine
CID 57824691
1-(6-Chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylazepane
CID 59341113
4-Chloro-6-(2-ethylpiperidino)-5-fluoropyrimidine
CID 59341117
5-Chloro-2,4-difluoro-6-(3,5-dimethylpiperidino)pyrimidine
CID 59341122
4-Chloro-6-(2,6-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 59341123
1-(6-chloro-5-fluoro pyrimidin-4-yl)-2,5-dimethylhexahydro-1H-azepine
CID 59341137
4,5-Difluoro-6-(3,5-dimethylpiperidino)pyrimidine
CID 59341140
1-(6-chloro-5-fluoropyrimidin-4-yl)-2-methylhexahydro-1H-azepine
CID 59341142
4-Chloro-6-(4-(trifluoromethyl)piperidin-1-yl)pyrimidine
CID 65532179
2,5-Dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 79632733
4-Chloro-6-(cis-3,5-dimethylpiperidino)-5-fluoropyrimidine
CID 86607460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine (CID 59341121) is 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine is CC1CC(C)CN(c2ncnc(Cl)c2F)C1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The InChIKey is NOFRIZWANHIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-7-3-8(2)5-16(4-7)11-9(13)10(12)14-6-15-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine has a molecular weight of 243.71 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 59341121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).