N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide

C12H21N5O — CID 80804475

IUPACN-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1ncnc(NC)c1CC
InChIInChI=1S/C12H21N5O/c1-5-9-11(13-3)15-8-16-12(9)17(4)7-10(18)14-6-2/h8H,5-7H2,1-4H3,(H,14,18)(H,13,15,16)
InChIKeyIQGKTGMLXTVGMQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.65
Rot. Bonds6

About N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide

N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 80804475) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
PubChem CID80804475
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1ncnc(NC)c1CC
InChIInChI=1S/C12H21N5O/c1-5-9-11(13-3)15-8-16-12(9)17(4)7-10(18)14-6-2/h8H,5-7H2,1-4H3,(H,14,18)(H,13,15,16)
InChIKeyIQGKTGMLXTVGMQ-UHFFFAOYSA-N
XLogP0.65
TPSA70.15 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 ≤ 50.65
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-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 114072094
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-propylamino]-N-methylacetamide
CID 80806342
N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779733
2-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80780164
N-ethyl-2-[methyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80786397
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80894065
2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80805333
N-ethyl-2-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80987499
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80779291

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide (CID 80804475) is N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide is CCNC(=O)CN(C)c1ncnc(NC)c1CC.
What is the InChIKey of N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is IQGKTGMLXTVGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-5-9-11(13-3)15-8-16-12(9)17(4)7-10(18)14-6-2/h8H,5-7H2,1-4H3,(H,14,18)(H,13,15,16).
What are the key properties of N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide?
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 80804475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).