5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine

C11H17FN4 — CID 104606423

IUPAC5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
SMILESCC1(CNc2ncc(F)cn2)CCNCC1
InChIInChI=1S/C11H17FN4/c1-11(2-4-13-5-3-11)8-16-10-14-6-9(12)7-15-10/h6-7,13H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyXNPYMCLBQNOBHI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.42
Rot. Bonds3

About 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine

5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine (PubChem CID 104606423) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
PubChem CID104606423
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
SMILESCC1(CNc2ncc(F)cn2)CCNCC1
InChIInChI=1S/C11H17FN4/c1-11(2-4-13-5-3-11)8-16-10-14-6-9(12)7-15-10/h6-7,13H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyXNPYMCLBQNOBHI-UHFFFAOYSA-N
XLogP1.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
2-Pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233309
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 3233093
2-Pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3234830
1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
N-ethyl-5-fluoropyrimidin-2-amine
CID 53385549
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
CID 71978664
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine (CID 104606423) is 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine is CC1(CNc2ncc(F)cn2)CCNCC1.
What is the InChIKey of 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is XNPYMCLBQNOBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-11(2-4-13-5-3-11)8-16-10-14-6-9(12)7-15-10/h6-7,13H,2-5,8H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methylpiperidin-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 104606423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).