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

C12H17FN4O — CID 103867461

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCc1ncnc(NCC(=O)N2CCCC2)c1F
InChIInChI=1S/C12H17FN4O/c1-2-9-11(13)12(16-8-15-9)14-7-10(18)17-5-3-4-6-17/h8H,2-7H2,1H3,(H,14,15,16)
InChIKeyLJTJCABZZHPNAO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.21
Rot. Bonds4

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

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 103867461) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID103867461
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCc1ncnc(NCC(=O)N2CCCC2)c1F
InChIInChI=1S/C12H17FN4O/c1-2-9-11(13)12(16-8-15-9)14-7-10(18)17-5-3-4-6-17/h8H,2-7H2,1H3,(H,14,15,16)
InChIKeyLJTJCABZZHPNAO-UHFFFAOYSA-N
XLogP1.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50950552
6-ethyl-5-methyl-N~4~-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 72907037
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
6-cyclopropyl-N-{rel-(3R,4S)-1-[(methylamino)acetyl]-4-propyl-3-pyrrolidinyl}-4-pyrimidinamine dihydrochloride
CID 72877336
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
(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 164629934
6-ethyl-5-fluoro-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171359955
1-(Azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
CID 178126452
1-(Azetidin-1-yl)-2-[[6-[3-(difluoromethyl)but-3-enyl]-5-fluoropyrimidin-4-yl]amino]ethanone;1,1-difluoroethanol;methanol
CID 178126630

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone (CID 103867461) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone is CCc1ncnc(NCC(=O)N2CCCC2)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is LJTJCABZZHPNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-2-9-11(13)12(16-8-15-9)14-7-10(18)17-5-3-4-6-17/h8H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 252.29 g/mol, XLogP of 1.21, 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-pyrrolidin-1-ylethanone is sourced from PubChem (CID 103867461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).