2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide

C12H21N5O — CID 80805333

IUPAC2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ncnc(N)c1CC
InChIInChI=1S/C12H21N5O/c1-4-9-11(13)15-8-16-12(9)17(6-3)7-10(18)14-5-2/h8H,4-7H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyGKXPRKXSBHFUHJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.58
Rot. Bonds6

About 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide

2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide (PubChem CID 80805333) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
PubChem CID80805333
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1ncnc(N)c1CC
InChIInChI=1S/C12H21N5O/c1-4-9-11(13)15-8-16-12(9)17(6-3)7-10(18)14-5-2/h8H,4-7H2,1-3H3,(H,14,18)(H2,13,15,16)
InChIKeyGKXPRKXSBHFUHJ-UHFFFAOYSA-N
XLogP0.58
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[ethyl-[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80804836
2-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80780164
N-ethyl-2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80905620
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266
2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
CID 80821348
2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide
CID 80508158
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475
5-amino-6-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 81439403
2-[(6-amino-5-nitropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808990
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871762
2-[(2,5-dichloropyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 79633316
2-[(3-chloro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 133382755

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide (CID 80805333) is 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1ncnc(N)c1CC.
What is the InChIKey of 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is GKXPRKXSBHFUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-9-11(13)15-8-16-12(9)17(6-3)7-10(18)14-5-2/h8H,4-7H2,1-3H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide?
2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 80805333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).