4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine

C9H10ClF2N3 — CID 118222706

IUPAC4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine
SMILESFC1(F)CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C9H10ClF2N3/c10-7-5-8(14-6-13-7)15-3-1-9(11,12)2-4-15/h5-6H,1-4H2
InChIKeyNTXHUFMQWODZTC-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.37
Rot. Bonds1

About 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine

4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine (PubChem CID 118222706) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine
PubChem CID118222706
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine
SMILESFC1(F)CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C9H10ClF2N3/c10-7-5-8(14-6-13-7)15-3-1-9(11,12)2-4-15/h5-6H,1-4H2
InChIKeyNTXHUFMQWODZTC-UHFFFAOYSA-N
XLogP2.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 949944
4-Chloro-6-piperidin-1-ylpyrimidine
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CID 22309524
6-chloro-N,N-dimethylpyrimidin-4-amine
CID 13869568
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidine
CID 8178074
Pyrimidine, 4-(1-aziridinyl)-6-chloro-
CID 203565
4-(6-Chloropyrimidin-4-yl)thiomorpholine
CID 50743366
4-Chloro-2-(piperidin-1-yl)pyrimidine
CID 817346
4-Chloro-6-(piperazin-1-yl)pyrimidine
CID 16092266
6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 46738254
N,N-dimethyl-6-(piperidin-1-yl)pyrimidin-4-amine
CID 122281919
3-(6-Chloropyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134789142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine (CID 118222706) is 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine is FC1(F)CCN(c2cc(Cl)ncn2)CC1.
What is the InChIKey of 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine?
The InChIKey is NTXHUFMQWODZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3/c10-7-5-8(14-6-13-7)15-3-1-9(11,12)2-4-15/h5-6H,1-4H2.
What are the key properties of 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine?
4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine has a molecular weight of 233.65 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4,4-difluoropiperidin-1-yl)pyrimidine is sourced from PubChem (CID 118222706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).