2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide

C9H13ClN4O — CID 104925668

IUPAC2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncc(Cl)cn1
InChIInChI=1S/C9H13ClN4O/c1-3-14(2)8(15)6-13-9-11-4-7(10)5-12-9/h4-5H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyGTTTVDSWIIJWJI-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.02
Rot. Bonds4

About 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide

2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 104925668) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID104925668
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncc(Cl)cn1
InChIInChI=1S/C9H13ClN4O/c1-3-14(2)8(15)6-13-9-11-4-7(10)5-12-9/h4-5H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyGTTTVDSWIIJWJI-UHFFFAOYSA-N
XLogP1.02
TPSA58.12 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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-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

N-ethyl-N-methyl-2-(pyrimidin-2-ylamino)acetamide
CID 104925715
2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 102975980
N,N-diethyl-2-[(5-methylpyrimidin-2-yl)amino]acetamide
CID 115773989
2-[(5-iodopyrimidin-2-yl)amino]-N,N-dimethylacetamide
CID 104839937
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 114133403
N-(5-chloropyrimidin-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79557378
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide
CID 104925840
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
CID 79556332
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]amino]-N-ethyl-N-methylacetamide
CID 104925729
2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
CID 43309689
N-methyl-2-(pyrimidin-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 71996239
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide (CID 104925668) is 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1ncc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is GTTTVDSWIIJWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-3-14(2)8(15)6-13-9-11-4-7(10)5-12-9/h4-5H,3,6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide?
2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 228.68 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104925668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).