2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide

C9H14ClN5O — CID 79492398

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN5O/c1-3-15(5-8(16)12-2)7-4-6(10)13-9(11)14-7/h4H,3,5H2,1-2H3,(H,12,16)(H2,11,13,14)
InChIKeyYJHYPQVUIYKZPD-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.28
Rot. Bonds4

About 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide

2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide (PubChem CID 79492398) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
PubChem CID79492398
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1cc(Cl)nc(N)n1
InChIInChI=1S/C9H14ClN5O/c1-3-15(5-8(16)12-2)7-4-6(10)13-9(11)14-7/h4H,3,5H2,1-2H3,(H,12,16)(H2,11,13,14)
InChIKeyYJHYPQVUIYKZPD-UHFFFAOYSA-N
XLogP0.28
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide
CID 31537862
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80808876
2-[(6-aminopyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808495
2-[(6-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80647459
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80895810
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 112725449
2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 113380193
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435
5-amino-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 114090177
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80900599

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide (CID 79492398) is 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1cc(Cl)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
The InChIKey is YJHYPQVUIYKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-3-15(5-8(16)12-2)7-4-6(10)13-9(11)14-7/h4H,3,5H2,1-2H3,(H,12,16)(H2,11,13,14).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide?
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide has a molecular weight of 243.70 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 79492398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).