ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate

C15H25N5O2 — CID 50975980

IUPACethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(N(C)C)nc(C)c2C)CC1
InChIInChI=1S/C15H25N5O2/c1-6-22-15(21)20-9-7-19(8-10-20)13-11(2)12(3)16-14(17-13)18(4)5/h6-10H2,1-5H3
InChIKeyLJUWQXWJOAJIAE-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.44
Rot. Bonds3

About ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 50975980) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID50975980
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nameethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(N(C)C)nc(C)c2C)CC1
InChIInChI=1S/C15H25N5O2/c1-6-22-15(21)20-9-7-19(8-10-20)13-11(2)12(3)16-14(17-13)18(4)5/h6-10H2,1-5H3
InChIKeyLJUWQXWJOAJIAE-UHFFFAOYSA-N
XLogP1.44
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 104526987
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876806
ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 103633734
4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 95135878
(1R,5S)-3-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid;formic acid
CID 154916124
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
1-[4-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751565
ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 103757761

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate (CID 50975980) is ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(N(C)C)nc(C)c2C)CC1.
What is the InChIKey of ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is LJUWQXWJOAJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-6-22-15(21)20-9-7-19(8-10-20)13-11(2)12(3)16-14(17-13)18(4)5/h6-10H2,1-5H3.
What are the key properties of ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 307.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 50975980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).