2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide

C11H17ClN4O — CID 79072774

IUPAC2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)ncc1C
InChIInChI=1S/C11H17ClN4O/c1-4-13-9(17)7-16(5-2)10-8(3)6-14-11(12)15-10/h6H,4-5,7H2,1-3H3,(H,13,17)
InChIKeyBWIHVJPHEQOPDY-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.40
Rot. Bonds5

About 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide

2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide (PubChem CID 79072774) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
PubChem CID79072774
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(Cl)ncc1C
InChIInChI=1S/C11H17ClN4O/c1-4-13-9(17)7-16(5-2)10-8(3)6-14-11(12)15-10/h6H,4-5,7H2,1-3H3,(H,13,17)
InChIKeyBWIHVJPHEQOPDY-UHFFFAOYSA-N
XLogP1.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
n-(Tert-butyl)-2-(pyrimidin-2-ylamino)acetamide
CID 28134358
1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
2-ethyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-5-pyrimidinecarboxamide
CID 72876341
4-(4-Acetylpiperazin-1-yl)-5-ethylpyrimidin-2-amine
CID 72903655
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 75370271
2-[4-(5-Methylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75433516
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-chloroethyl)urea
CID 324689
N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
CID 71974232
8,9-Dihydro-5h-pyrimido[4,5-e][1,4]diazepin-7(6h)-one
CID 57418176
N-(tert-butyl)-2-{[4-(ethylamino)pyrimidin-2-yl]amino}acetamide
CID 50959033

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide (CID 79072774) is 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc(Cl)ncc1C.
What is the InChIKey of 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is BWIHVJPHEQOPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-4-13-9(17)7-16(5-2)10-8(3)6-14-11(12)15-10/h6H,4-5,7H2,1-3H3,(H,13,17).
What are the key properties of 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 256.74 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 79072774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).