6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine

C13H23N5O — CID 66325131

IUPAC6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCCN2CCNCC2)c1C
InChIInChI=1S/C13H23N5O/c1-3-19-13-11(2)12(16-10-17-13)15-6-9-18-7-4-14-5-8-18/h10,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyPLLKMGRBBVDFFJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.50
Rot. Bonds6

About 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine (PubChem CID 66325131) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
PubChem CID66325131
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCCN2CCNCC2)c1C
InChIInChI=1S/C13H23N5O/c1-3-19-13-11(2)12(16-10-17-13)15-6-9-18-7-4-14-5-8-18/h10,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyPLLKMGRBBVDFFJ-UHFFFAOYSA-N
XLogP0.50
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
N-Methyl-6-(4-methylpiperazin-1-yl)-5-(methylsulfanyl)-4-propoxypyrimidin-2(1H)-imine
CID 91944
4-Ethoxy-2-(piperazin-1-yl)pyrimidine
CID 17855548
6-Methoxy-5-[(2-methylsulfanylpropylamino)methyl]pyrimidin-4-amine
CID 75387565
6-ethoxy-N-(piperidin-4-yl)pyrimidin-4-amine
CID 66319018
4-propan-2-yloxy-6-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrimidine
CID 171359572
6-but-2-ynoxy-5-fluoro-N-pentan-3-ylpyrimidin-4-amine
CID 22599790
4-Piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 66747273
4-Piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride
CID 66748286
5-Fluoro-4-piperidin-1-yl-6-propoxypyrimidine
CID 67100592
4-Ethoxy-5-fluoro-6-piperidin-1-ylpyrimidine
CID 68027213
N-ethyl-N'-methyl-N'-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethane-1,2-diamine
CID 68062684

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine (CID 66325131) is 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine is CCOc1ncnc(NCCN2CCNCC2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is PLLKMGRBBVDFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-19-13-11(2)12(16-10-17-13)15-6-9-18-7-4-14-5-8-18/h10,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66325131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).