ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate

C13H21N5O2 — CID 104526987

IUPACethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)nc(N)c2C)CC1
InChIInChI=1S/C13H21N5O2/c1-4-20-13(19)18-7-5-17(6-8-18)12-9(2)11(14)15-10(3)16-12/h4-8H2,1-3H3,(H2,14,15,16)
InChIKeyYWFUGVZGZRWNNN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.95
Rot. Bonds2

About ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate

ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 104526987) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID104526987
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Nameethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)nc(N)c2C)CC1
InChIInChI=1S/C13H21N5O2/c1-4-20-13(19)18-7-5-17(6-8-18)12-9(2)11(14)15-10(3)16-12/h4-8H2,1-3H3,(H2,14,15,16)
InChIKeyYWFUGVZGZRWNNN-UHFFFAOYSA-N
XLogP0.95
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 103633734
ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate
CID 50975980
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 103757761
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-(6-amino-3-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 12919353
ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876806
ethyl 4-(5-amino-3-bromo-2-pyridinyl)piperazine-1-carboxylate
CID 107876726
5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 98032415
1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80766566
6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80834206

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate (CID 104526987) is ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)nc(N)c2C)CC1.
What is the InChIKey of ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is YWFUGVZGZRWNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-20-13(19)18-7-5-17(6-8-18)12-9(2)11(14)15-10(3)16-12/h4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate?
ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 104526987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).