2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide

C11H19N5O — CID 80994073

IUPAC2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(CC)nc(N)c1C
InChIInChI=1S/C11H19N5O/c1-4-8-15-10(12)7(3)11(16-8)14-6-9(17)13-5-2/h4-6H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyKYPTWNNTGNELGG-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.48
Rot. Bonds5

About 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide (PubChem CID 80994073) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
PubChem CID80994073
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1nc(CC)nc(N)c1C
InChIInChI=1S/C11H19N5O/c1-4-8-15-10(12)7(3)11(16-8)14-6-9(17)13-5-2/h4-6H2,1-3H3,(H,13,17)(H3,12,14,15,16)
InChIKeyKYPTWNNTGNELGG-UHFFFAOYSA-N
XLogP0.48
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80993296
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
CID 80993875
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098699
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405780
2-[2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241829
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149768
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405791
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide (CID 80994073) is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide is CCNC(=O)CNc1nc(CC)nc(N)c1C.
What is the InChIKey of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide?
The InChIKey is KYPTWNNTGNELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-8-15-10(12)7(3)11(16-8)14-6-9(17)13-5-2/h4-6H2,1-3H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide?
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide is sourced from PubChem (CID 80994073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).