N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide

C12H19FN4O — CID 103867449

IUPACN-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESCCc1ncnc(NCC(=O)NC(C)(C)C)c1F
InChIInChI=1S/C12H19FN4O/c1-5-8-10(13)11(16-7-15-8)14-6-9(18)17-12(2,3)4/h7H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyQMUODHMJESKEJP-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.50
Rot. Bonds4

About N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide (PubChem CID 103867449) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
PubChem CID103867449
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
SMILESCCc1ncnc(NCC(=O)NC(C)(C)C)c1F
InChIInChI=1S/C12H19FN4O/c1-5-8-10(13)11(16-7-15-8)14-6-9(18)17-12(2,3)4/h7H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyQMUODHMJESKEJP-UHFFFAOYSA-N
XLogP1.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 164629934
5-Fluoro-4-propan-2-ylpyrimidine-2-carboxamide
CID 155161750
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
(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 178126666
1-(Azetidin-1-yl)-2-[(5-fluoro-6-propylpyrimidin-4-yl)amino]ethanone;ethane;3-fluoroprop-1-ene;trifluoromethanol
CID 178126787
1-(Azetidin-1-yl)-2-[(5-fluoro-6-propylpyrimidin-4-yl)amino]ethanone;3-fluoroprop-1-ene;trifluoro(methoxy)methane
CID 178126980

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide (CID 103867449) is N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide is CCc1ncnc(NCC(=O)NC(C)(C)C)c1F.
What is the InChIKey of N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
The InChIKey is QMUODHMJESKEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-5-8-10(13)11(16-7-15-8)14-6-9(18)17-12(2,3)4/h7H,5-6H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide has a molecular weight of 254.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 103867449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).