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

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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).