5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine

C11H18FN5 — CID 143495826

IUPAC5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine
SMILESNCC1(F)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C11H18FN5/c12-11(8-13)1-3-17(4-2-11)7-9-5-15-10(14)16-6-9/h5-6H,1-4,7-8,13H2,(H2,14,15,16)
InChIKeyPRJFJMUUDXUSNR-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.32
Rot. Bonds3

About 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine

5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 143495826) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID143495826
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine
SMILESNCC1(F)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C11H18FN5/c12-11(8-13)1-3-17(4-2-11)7-9-5-15-10(14)16-6-9/h5-6H,1-4,7-8,13H2,(H2,14,15,16)
InChIKeyPRJFJMUUDXUSNR-UHFFFAOYSA-N
XLogP0.32
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
(1-(Pyrimidin-2-yl)piperidin-4-yl)methanamine dihydrochloride
CID 19079019
N,N-dimethyl-5-((methylamino)methyl)pyrimidin-2-amine
CID 62756582
4-Amino-2-(4-methyl-1-piperidinyl)-5-pyrimidinecarbonitrile
CID 25020934
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine (CID 143495826) is 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine is NCC1(F)CCN(Cc2cnc(N)nc2)CC1.
What is the InChIKey of 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is PRJFJMUUDXUSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c12-11(8-13)1-3-17(4-2-11)7-9-5-15-10(14)16-6-9/h5-6H,1-4,7-8,13H2,(H2,14,15,16).
What are the key properties of 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine?
5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 239.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)-4-fluoropiperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 143495826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).