3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one

C13H21N5O — CID 80833586

IUPAC3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
SMILESCCNc1cc(N2CCNC(=O)C2CC)nc(C)n1
InChIInChI=1S/C13H21N5O/c1-4-10-13(19)15-6-7-18(10)12-8-11(14-5-2)16-9(3)17-12/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyOBBBWDXICAASJO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds4

About 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one

3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one (PubChem CID 80833586) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
PubChem CID80833586
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
SMILESCCNc1cc(N2CCNC(=O)C2CC)nc(C)n1
InChIInChI=1S/C13H21N5O/c1-4-10-13(19)15-6-7-18(10)12-8-11(14-5-2)16-9(3)17-12/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyOBBBWDXICAASJO-UHFFFAOYSA-N
XLogP0.93
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80959273
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
3-ethyl-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-2-one
CID 80834717
3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80957569
3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80833683
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
CID 102758288
4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
CID 63603736
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one
CID 80950835
7-[6-(ethylamino)-2-methylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80848239
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729
4-(6-chloro-4-nitro-2-pyridinyl)-3-ethylpiperazin-2-one
CID 114070846

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one (CID 80833586) is 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one is CCNc1cc(N2CCNC(=O)C2CC)nc(C)n1.
What is the InChIKey of 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one?
The InChIKey is OBBBWDXICAASJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-10-13(19)15-6-7-18(10)12-8-11(14-5-2)16-9(3)17-12/h8,10H,4-7H2,1-3H3,(H,15,19)(H,14,16,17).
What are the key properties of 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one?
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80833586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).