2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

C9H13ClN4O — CID 102975980

IUPAC2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncncc1Cl
InChIInChI=1S/C9H13ClN4O/c1-3-14(2)8(15)5-12-9-7(10)4-11-6-13-9/h4,6H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyAPPGLXWBQVQHRN-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.02
Rot. Bonds4

About 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 102975980) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID102975980
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ncncc1Cl
InChIInChI=1S/C9H13ClN4O/c1-3-14(2)8(15)5-12-9-7(10)4-11-6-13-9/h4,6H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyAPPGLXWBQVQHRN-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

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Related Compounds

2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 104925668
ethyl (2S,3R)-3-[(5-chloropyrimidin-4-yl)amino]-2-methylbutanoate
CID 100662469
N-ethyl-N-methyl-2-[(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]acetamide
CID 114203262
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133405
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
N-ethyl-N-methyl-2-(pyrimidin-2-ylamino)acetamide
CID 104925715
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
CID 43309689

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (CID 102975980) is 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1ncncc1Cl.
What is the InChIKey of 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is APPGLXWBQVQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-3-14(2)8(15)5-12-9-7(10)4-11-6-13-9/h4,6H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(5-chloropyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
2-[(5-chloropyrimidin-4-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-4-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 102975980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).