N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide

C9H13FN4O — CID 103930932

IUPACN-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide
SMILESCCNC(=O)CNc1ncnc(C)c1F
InChIInChI=1S/C9H13FN4O/c1-3-11-7(15)4-12-9-8(10)6(2)13-5-14-9/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyLQPSYKCPZBDKKF-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.47
Rot. Bonds4

About N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide

N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide (PubChem CID 103930932) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide
PubChem CID103930932
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide
SMILESCCNC(=O)CNc1ncnc(C)c1F
InChIInChI=1S/C9H13FN4O/c1-3-11-7(15)4-12-9-8(10)6(2)13-5-14-9/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyLQPSYKCPZBDKKF-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5H-pteridin-6-one
CID 595562
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
Pteridine, 5-acetyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422332
Pyrimidine, 4-amino-6-methyl-5-methylformamido-
CID 145618706
Pteridine, 8-ethyl-2-ethylamino-7,8-dihydro-4-methyl-7-oxo-
CID 171384108
2-[(4,5-Dimethylpyrimidin-2-YL)amino]-N-ethylacetamide
CID 86802910
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
N-[(3S)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 164639400
2-N-(2-aminoethyl)-5-fluoro-4-N,6-dimethylpyrimidine-2,4-diamine
CID 67095980
5-Fluoro-4-methyl-6-(piperazin-1-yl)pyrimidine
CID 84039866

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide (CID 103930932) is N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide is CCNC(=O)CNc1ncnc(C)c1F.
What is the InChIKey of N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide?
The InChIKey is LQPSYKCPZBDKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-3-11-7(15)4-12-9-8(10)6(2)13-5-14-9/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13,14).
What are the key properties of N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide?
N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide has a molecular weight of 212.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 103930932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).