2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide

C11H19N5O — CID 104925840

IUPAC2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccnc(N(C)C)n1
InChIInChI=1S/C11H19N5O/c1-5-16(4)10(17)8-13-9-6-7-12-11(14-9)15(2)3/h6-7H,5,8H2,1-4H3,(H,12,13,14)
InChIKeyGJHKHIYAGUMEIM-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.43
Rot. Bonds5

About 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide

2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide (PubChem CID 104925840) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide
PubChem CID104925840
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccnc(N(C)C)n1
InChIInChI=1S/C11H19N5O/c1-5-16(4)10(17)8-13-9-6-7-12-11(14-9)15(2)3/h6-7H,5,8H2,1-4H3,(H,12,13,14)
InChIKeyGJHKHIYAGUMEIM-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide (CID 104925840) is 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1ccnc(N(C)C)n1.
What is the InChIKey of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide?
The InChIKey is GJHKHIYAGUMEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-5-16(4)10(17)8-13-9-6-7-12-11(14-9)15(2)3/h6-7H,5,8H2,1-4H3,(H,12,13,14).
What are the key properties of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide?
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104925840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).