5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine

C16H25FN4 — CID 125135597

IUPAC5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
SMILESC[C@H]1CCCCN1C[C@@H]1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C16H25FN4/c1-13-5-2-3-7-20(13)11-14-6-4-8-21(12-14)16-18-9-15(17)10-19-16/h9-10,13-14H,2-8,11-12H2,1H3/t13-,14-/m0/s1
InChIKeyIUVKFZVETVUELB-KBPBESRZSA-N
MW292.40 g/mol
LogP2.71
Rot. Bonds3

About 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine

5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine (PubChem CID 125135597) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
PubChem CID125135597
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
SMILESC[C@H]1CCCCN1C[C@@H]1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C16H25FN4/c1-13-5-2-3-7-20(13)11-14-6-4-8-21(12-14)16-18-9-15(17)10-19-16/h9-10,13-14H,2-8,11-12H2,1H3/t13-,14-/m0/s1
InChIKeyIUVKFZVETVUELB-KBPBESRZSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine
CID 125135600
[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
CID 154736534
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 104606621
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
S-[(3S)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]thiohydroxylamine
CID 134532144
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine (CID 125135597) is 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine is C[C@H]1CCCCN1C[C@@H]1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine?
The InChIKey is IUVKFZVETVUELB-KBPBESRZSA-N. The full InChI is InChI=1S/C16H25FN4/c1-13-5-2-3-7-20(13)11-14-6-4-8-21(12-14)16-18-9-15(17)10-19-16/h9-10,13-14H,2-8,11-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine?
5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine has a molecular weight of 292.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 125135597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).