2,4-difluoro-6-piperidin-1-ylpyrimidine

C9H11F2N3 — CID 598527

IUPAC2,4-difluoro-6-piperidin-1-ylpyrimidine
SMILESFc1cc(N2CCCCC2)nc(F)n1
InChIInChI=1S/C9H11F2N3/c10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyUACOVWCDBIYVRN-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.75
Rot. Bonds1

About 2,4-difluoro-6-piperidin-1-ylpyrimidine

2,4-difluoro-6-piperidin-1-ylpyrimidine (PubChem CID 598527) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 2,4-difluoro-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name2,4-difluoro-6-piperidin-1-ylpyrimidine
PubChem CID598527
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC Name2,4-difluoro-6-piperidin-1-ylpyrimidine
SMILESFc1cc(N2CCCCC2)nc(F)n1
InChIInChI=1S/C9H11F2N3/c10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyUACOVWCDBIYVRN-UHFFFAOYSA-N
XLogP1.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamine
CID 24798595
4-N,4-N-diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129180
4-Azepan-1-yl-6-fluoropyrimidin-2-amine
CID 676798
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25130911
4,6-Bispiperidinopyrimidine
CID 612543
2,6-difluoro-N,N-dimethylpyrimidin-4-amine
CID 594436
N4-butyl-6-fluoropyrimidine-2,4-diamine
CID 2780461
2-(Piperidin-1-yl)pyrimidine-4,6-diamine
CID 16653160
N,N-dimethyl-6-(piperidin-1-yl)pyrimidin-4-amine
CID 122281919
2,6-Di(piperidin-1-yl)pyrimidin-4-amine
CID 837990

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-piperidin-1-ylpyrimidine?
The IUPAC name of 2,4-difluoro-6-piperidin-1-ylpyrimidine (CID 598527) is 2,4-difluoro-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 2,4-difluoro-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 2,4-difluoro-6-piperidin-1-ylpyrimidine is Fc1cc(N2CCCCC2)nc(F)n1.
What is the InChIKey of 2,4-difluoro-6-piperidin-1-ylpyrimidine?
The InChIKey is UACOVWCDBIYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h6H,1-5H2.
What are the key properties of 2,4-difluoro-6-piperidin-1-ylpyrimidine?
2,4-difluoro-6-piperidin-1-ylpyrimidine has a molecular weight of 199.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 598527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).