2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide

C8H12ClN5O — CID 103101135

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncnc(Cl)c1N
InChIInChI=1S/C8H12ClN5O/c1-2-14(3-5(10)15)8-6(11)7(9)12-4-13-8/h4H,2-3,11H2,1H3,(H2,10,15)
InChIKeyBKMYEARWPWAPLU-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.02
Rot. Bonds4

About 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide

2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide (PubChem CID 103101135) has the molecular formula C8H12ClN5O and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
PubChem CID103101135
Molecular FormulaC8H12ClN5O
Molecular Weight229.67 g/mol
Exact Mass229.07
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1ncnc(Cl)c1N
InChIInChI=1S/C8H12ClN5O/c1-2-14(3-5(10)15)8-6(11)7(9)12-4-13-8/h4H,2-3,11H2,1H3,(H2,10,15)
InChIKeyBKMYEARWPWAPLU-UHFFFAOYSA-N
XLogP0.02
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103651
2-[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-ethylamino]acetamide
CID 103103014
6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
CID 63698064
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 55231039
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[ethyl(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino]acetamide
CID 103102717
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-ethylamino]acetamide
CID 103104349

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide (CID 103101135) is 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1ncnc(Cl)c1N.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide?
The InChIKey is BKMYEARWPWAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O/c1-2-14(3-5(10)15)8-6(11)7(9)12-4-13-8/h4H,2-3,11H2,1H3,(H2,10,15).
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide?
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide has a molecular weight of 229.67 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide is sourced from PubChem (CID 103101135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).