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

C10H14Cl2N4O — CID 79633316

IUPAC2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-3-13-8(17)6-16(4-2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyJTENHZACINYDRI-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.75
Rot. Bonds5

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

2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide (PubChem CID 79633316) 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-ethylacetamide.

Molecular Properties

Compound Name2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
PubChem CID79633316
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)ncc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-3-13-8(17)6-16(4-2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyJTENHZACINYDRI-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10647686, Example 1
CID 114518258
2-[4-(5-Chloropyrimidin-2-yl)piperazin-1-yl]propanamide
CID 71973150
N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
CID 71974232
N-((4-(dimethylamino)pyrimidin-2-yl)methyl)acetamide
CID 73168010
8,9-Dihydro-5h-pyrimido[4,5-e][1,4]diazepin-7(6h)-one
CID 57418176
4-[4-(5-Chloropyrimidin-2-yl)piperazine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 75496230
2-[(5-fluoropyrimidin-2-yl)-propylamino]-N-propylacetamide
CID 84591133
(2S)-2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopentylpropanamide
CID 97589744
(3S)-3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 97599144
N-ethyl-2-[(5-fluoropyrimidin-2-yl)amino]-N-methylacetamide
CID 104925826
(6S)-4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6-methylpiperazin-2-one
CID 132422813
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclohexylacetamide
CID 136512352

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide (CID 79633316) is 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc(Cl)ncc1Cl.
What is the InChIKey of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is JTENHZACINYDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-3-13-8(17)6-16(4-2)9-7(11)5-14-10(12)15-9/h5H,3-4,6H2,1-2H3,(H,13,17).
What are the key properties of 2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 277.15 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 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-ethylacetamide is sourced from PubChem (CID 79633316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).