2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine

C12H21N5 — CID 80983428

IUPAC2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(N2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-4-10-15-11(13-3)9(2)12(16-10)17-7-5-14-6-8-17/h14H,4-8H2,1-3H3,(H,13,15,16)
InChIKeyUCWQENWPTGJPPO-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.80
Rot. Bonds3

About 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine

2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine (PubChem CID 80983428) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
PubChem CID80983428
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(N2CCNCC2)n1
InChIInChI=1S/C12H21N5/c1-4-10-15-11(13-3)9(2)12(16-10)17-7-5-14-6-8-17/h14H,4-8H2,1-3H3,(H,13,15,16)
InChIKeyUCWQENWPTGJPPO-UHFFFAOYSA-N
XLogP0.80
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80993261
1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane
CID 94075421
6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80985404
2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80984497
6-(3,4-dimethylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984292
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80993142
1-[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80983649
2-ethyl-N,5-dimethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80981348
[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782647
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984251
6-(2,5-dimethylpiperidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80991992
2-ethyl-4-methyl-5-[(2-methylphenyl)methyl]-6-piperazin-1-ylpyrimidine
CID 82169410

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine (CID 80983428) is 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine is CCc1nc(NC)c(C)c(N2CCNCC2)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is UCWQENWPTGJPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-10-15-11(13-3)9(2)12(16-10)17-7-5-14-6-8-17/h14H,4-8H2,1-3H3,(H,13,15,16).
What are the key properties of 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80983428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).