1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone

C14H23N5O — CID 80766566

IUPAC1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc(C)nc(N2CCN(C(C)=O)CC2)c1C
InChIInChI=1S/C14H23N5O/c1-5-15-13-10(2)14(17-11(3)16-13)19-8-6-18(7-9-19)12(4)20/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyTUIBQORIEIDOQV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.19
Rot. Bonds3

About 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 80766566) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID80766566
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCNc1nc(C)nc(N2CCN(C(C)=O)CC2)c1C
InChIInChI=1S/C14H23N5O/c1-5-15-13-10(2)14(17-11(3)16-13)19-8-6-18(7-9-19)12(4)20/h5-9H2,1-4H3,(H,15,16,17)
InChIKeyTUIBQORIEIDOQV-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80833885
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887894
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 107460213
3,3-dimethyl-1-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 814778
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80805785
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 104526987
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80824999
6-(3,3-dimethylpyrrolidin-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80854736

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 80766566) is 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone is CCNc1nc(C)nc(N2CCN(C(C)=O)CC2)c1C.
What is the InChIKey of 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is TUIBQORIEIDOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-15-13-10(2)14(17-11(3)16-13)19-8-6-18(7-9-19)12(4)20/h5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 80766566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).