2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone

C13H19FN4O — CID 103879852

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESCCc1ncnc(NCC(=O)N2CCCCC2)c1F
InChIInChI=1S/C13H19FN4O/c1-2-10-12(14)13(17-9-16-10)15-8-11(19)18-6-4-3-5-7-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyJROCMIOIIGFTAO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.60
Rot. Bonds4

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 103879852) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
PubChem CID103879852
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESCCc1ncnc(NCC(=O)N2CCCCC2)c1F
InChIInChI=1S/C13H19FN4O/c1-2-10-12(14)13(17-9-16-10)15-8-11(19)18-6-4-3-5-7-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyJROCMIOIIGFTAO-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
CID 50968814
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 56886469
4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 84597644
2-(Dimethylamino)-1-[4-(propan-2-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 97516503
2-{[6-(2-aminoethyl)pyrimidin-4-yl]amino}-N-(tert-butyl)acetamide
CID 56702333
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-3-methylurea
CID 121537353
4-(5,6,7,8-Tetrahydroquinazolin-4-yl)piperazin-2-one
CID 126851067
6-ethyl-5-fluoro-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171359955
N-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 137507586
Ethyl 4-[6-(1-fluoroethyl)-5-iodopyrimidin-4-yl]piperazine-1-carboxylate
CID 140057098

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone (CID 103879852) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone is CCc1ncnc(NCC(=O)N2CCCCC2)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is JROCMIOIIGFTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-2-10-12(14)13(17-9-16-10)15-8-11(19)18-6-4-3-5-7-18/h9H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 266.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 103879852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).