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

C14H21FN4O — CID 103879908

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ncnc(NC(C)C(=O)N2CCCCC2)c1F
InChIInChI=1S/C14H21FN4O/c1-3-11-12(15)13(17-9-16-11)18-10(2)14(20)19-7-5-4-6-8-19/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySREOLRAARJMPCV-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.99
Rot. Bonds4

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

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 103879908) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID103879908
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCCc1ncnc(NC(C)C(=O)N2CCCCC2)c1F
InChIInChI=1S/C14H21FN4O/c1-3-11-12(15)13(17-9-16-11)18-10(2)14(20)19-7-5-4-6-8-19/h9-10H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySREOLRAARJMPCV-UHFFFAOYSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.99
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
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
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
N-{trans-3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl}-2-(4-methylpiperidin-1-yl)acetamide
CID 91798280
(2S)-N,N-dimethyl-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]propanamide
CID 95126128
(2S)-2-[[4,6-dimethyl-5-(2-methylpropyl)pyrimidin-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 96563196
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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 103879908) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one is CCc1ncnc(NC(C)C(=O)N2CCCCC2)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is SREOLRAARJMPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-3-11-12(15)13(17-9-16-11)18-10(2)14(20)19-7-5-4-6-8-19/h9-10H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 280.35 g/mol, XLogP of 1.99, 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-ylpropan-1-one is sourced from PubChem (CID 103879908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).