2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide

C9H13ClN4O — CID 103103651

IUPAC2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncnc(Cl)c1C
InChIInChI=1S/C9H13ClN4O/c1-3-14(4-7(11)15)9-6(2)8(10)12-5-13-9/h5H,3-4H2,1-2H3,(H2,11,15)
InChIKeyZHGYKCUIOINQQJ-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.75
Rot. Bonds4

About 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide

2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide (PubChem CID 103103651) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
PubChem CID103103651
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncnc(Cl)c1C
InChIInChI=1S/C9H13ClN4O/c1-3-14(4-7(11)15)9-6(2)8(10)12-5-13-9/h5H,3-4H2,1-2H3,(H2,11,15)
InChIKeyZHGYKCUIOINQQJ-UHFFFAOYSA-N
XLogP0.75
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide
CID 103103014
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103666
N-butyl-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63735068
N'-(6-chloro-5-methylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995604
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
2-[(3-carbamothioylpyrazin-2-yl)-ethylamino]acetamide
CID 103102572
2-[[3-(aminomethyl)pyrazin-2-yl]-ethylamino]acetamide
CID 103101246
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
CID 103103685
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide (CID 103103651) is 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1ncnc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide?
The InChIKey is ZHGYKCUIOINQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-3-14(4-7(11)15)9-6(2)8(10)12-5-13-9/h5H,3-4H2,1-2H3,(H2,11,15).
What are the key properties of 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide?
2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide has a molecular weight of 228.68 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide is sourced from PubChem (CID 103103651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).