2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide

C9H13FN4O — CID 103879762

IUPAC2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCc1ncnc(NCC(=O)NC)c1F
InChIInChI=1S/C9H13FN4O/c1-3-6-8(10)9(14-5-13-6)12-4-7(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyHZBMDYHTQHRDRG-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.34
Rot. Bonds4

About 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 103879762) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID103879762
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCc1ncnc(NCC(=O)NC)c1F
InChIInChI=1S/C9H13FN4O/c1-3-6-8(10)9(14-5-13-6)12-4-7(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyHZBMDYHTQHRDRG-UHFFFAOYSA-N
XLogP0.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(cyclobutylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-N,N-dimethylacetamide
CID 97516742
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
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
6-(1-fluoroethyl)-5-iodo-N-propan-2-ylpyrimidin-4-amine
CID 140157173
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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide (CID 103879762) is 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide is CCc1ncnc(NCC(=O)NC)c1F.
What is the InChIKey of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is HZBMDYHTQHRDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-3-6-8(10)9(14-5-13-6)12-4-7(15)11-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,14).
What are the key properties of 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide?
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 212.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 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]-N-methylacetamide is sourced from PubChem (CID 103879762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).