2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine

C12H21N5 — CID 133365840

IUPAC2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCCN1CCN(c2nccc(N(C)C)n2)CC1
InChIInChI=1S/C12H21N5/c1-4-16-7-9-17(10-8-16)12-13-6-5-11(14-12)15(2)3/h5-6H,4,7-10H2,1-3H3
InChIKeyRNPXDDDNBBADCV-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.68
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine

2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine (PubChem CID 133365840) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
PubChem CID133365840
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
SMILESCCN1CCN(c2nccc(N(C)C)n2)CC1
InChIInChI=1S/C12H21N5/c1-4-16-7-9-17(10-8-16)12-13-6-5-11(14-12)15(2)3/h5-6H,4,7-10H2,1-3H3
InChIKeyRNPXDDDNBBADCV-UHFFFAOYSA-N
XLogP0.68
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 146079492
2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 154829653
2-(4-ethylpiperazin-1-yl)-4-(trichloromethyl)pyrimidine
CID 70394813
2-(1,4-diazepan-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 121204943
N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 166601217
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
ethyl 1-[4-(dimethylamino)pyrimidin-2-yl]piperidine-4-carboxylate
CID 133365954
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 154883523

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine (CID 133365840) is 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine is CCN1CCN(c2nccc(N(C)C)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine?
The InChIKey is RNPXDDDNBBADCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-16-7-9-17(10-8-16)12-13-6-5-11(14-12)15(2)3/h5-6H,4,7-10H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine?
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133365840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).