5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine

C13H14FN5 — CID 138050657

IUPAC5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine
SMILESFc1cnc(N2CCC(c3ncccn3)CC2)nc1
InChIInChI=1S/C13H14FN5/c14-11-8-17-13(18-9-11)19-6-2-10(3-7-19)12-15-4-1-5-16-12/h1,4-5,8-10H,2-3,6-7H2
InChIKeyUFXKRABDBTYWKZ-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.79
Rot. Bonds2

About 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine

5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 138050657) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine
PubChem CID138050657
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine
SMILESFc1cnc(N2CCC(c3ncccn3)CC2)nc1
InChIInChI=1S/C13H14FN5/c14-11-8-17-13(18-9-11)19-6-2-10(3-7-19)12-15-4-1-5-16-12/h1,4-5,8-10H,2-3,6-7H2
InChIKeyUFXKRABDBTYWKZ-UHFFFAOYSA-N
XLogP1.79
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91819592
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5,6-dimethyl-3-(4-pyrimidin-2-ylpiperidin-1-yl)-1,2,4-triazine
CID 138050658
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
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2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
4-(5-fluoropyrimidin-2-yl)thiomorpholine
CID 119103581
fluoro 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
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5-fluoro-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 146140740
1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
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5-fluoro-2-(4-methylidenepiperidin-1-yl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine (CID 138050657) is 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine is Fc1cnc(N2CCC(c3ncccn3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is UFXKRABDBTYWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c14-11-8-17-13(18-9-11)19-6-2-10(3-7-19)12-15-4-1-5-16-12/h1,4-5,8-10H,2-3,6-7H2.
What are the key properties of 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine?
5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 259.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-pyrimidin-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 138050657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).