4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine

C11H17FN4 — CID 80773841

IUPAC4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
SMILESCCC1CCCCN1c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4/c1-2-8-5-3-4-6-16(8)10-9(12)7-14-11(13)15-10/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyQIDPSKRTDVMKEU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.97
Rot. Bonds2

About 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine

4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80773841) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
PubChem CID80773841
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine
SMILESCCC1CCCCN1c1nc(N)ncc1F
InChIInChI=1S/C11H17FN4/c1-2-8-5-3-4-6-16(8)10-9(12)7-14-11(13)15-10/h7-8H,2-6H2,1H3,(H2,13,14,15)
InChIKeyQIDPSKRTDVMKEU-UHFFFAOYSA-N
XLogP1.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-fluoropyrimidin-2-amine
CID 80824832
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-fluoropyrimidin-2-amine
CID 80790059
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoropyrimidin-2-amine
CID 80833954
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
6-(2-ethylpyrrolidin-1-yl)-5-methylpyridin-3-amine
CID 62476384
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19140549
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidine-5-carboxamide
CID 70976837
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine (CID 80773841) is 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine is CCC1CCCCN1c1nc(N)ncc1F.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is QIDPSKRTDVMKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-2-8-5-3-4-6-16(8)10-9(12)7-14-11(13)15-10/h7-8H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine?
4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80773841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).