2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide

C10H14Cl2N4O — CID 79632500

IUPAC2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-4-16(6-8(17)15(2)3)9-7(11)5-13-10(12)14-9/h5H,4,6H2,1-3H3
InChIKeyNCKQLBDJVHBRBO-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.70
Rot. Bonds4

About 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide

2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 79632500) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID79632500
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-4-16(6-8(17)15(2)3)9-7(11)5-13-10(12)14-9/h5H,4,6H2,1-3H3
InChIKeyNCKQLBDJVHBRBO-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide (CID 79632500) is 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is NCKQLBDJVHBRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-4-16(6-8(17)15(2)3)9-7(11)5-13-10(12)14-9/h5H,4,6H2,1-3H3.
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 277.15 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 79632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).