2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide

C8H11ClN4O — CID 62342254

IUPAC2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-10-7(14)5-13(2)6-3-4-11-8(9)12-6/h3-4H,5H2,1-2H3,(H,10,14)
InChIKeyUNNSQYDENUUFQS-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.31
Rot. Bonds3

About 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide

2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide (PubChem CID 62342254) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide
PubChem CID62342254
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-10-7(14)5-13(2)6-3-4-11-8(9)12-6/h3-4H,5H2,1-2H3,(H,10,14)
InChIKeyUNNSQYDENUUFQS-UHFFFAOYSA-N
XLogP0.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide (CID 62342254) is 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1ccnc(Cl)n1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide?
The InChIKey is UNNSQYDENUUFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-10-7(14)5-13(2)6-3-4-11-8(9)12-6/h3-4H,5H2,1-2H3,(H,10,14).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide?
2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide has a molecular weight of 214.66 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 62342254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).