4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one

C11H17N5O — CID 80763940

IUPAC4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
SMILESCCNc1ncnc(N2CCNC(=O)C2)c1C
InChIInChI=1S/C11H17N5O/c1-3-12-10-8(2)11(15-7-14-10)16-5-4-13-9(17)6-16/h7H,3-6H2,1-2H3,(H,13,17)(H,12,14,15)
InChIKeyDFRJETVWFBFTJB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.15
Rot. Bonds3

About 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one

4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one (PubChem CID 80763940) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
PubChem CID80763940
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one
SMILESCCNc1ncnc(N2CCNC(=O)C2)c1C
InChIInChI=1S/C11H17N5O/c1-3-12-10-8(2)11(15-7-14-10)16-5-4-13-9(17)6-16/h7H,3-6H2,1-2H3,(H,13,17)(H,12,14,15)
InChIKeyDFRJETVWFBFTJB-UHFFFAOYSA-N
XLogP0.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 102755342
N-ethyl-5-methyl-6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80793772
4-[6-(methylamino)-5-nitropyrimidin-4-yl]piperazin-2-one
CID 112725374
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80831776
6-(3,3-diethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80855240
N-ethyl-5-methyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823280
4-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80827636
4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80764577
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80835406
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80831098
1-[6-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971284

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one (CID 80763940) is 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one is CCNc1ncnc(N2CCNC(=O)C2)c1C.
What is the InChIKey of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one?
The InChIKey is DFRJETVWFBFTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-12-10-8(2)11(15-7-14-10)16-5-4-13-9(17)6-16/h7H,3-6H2,1-2H3,(H,13,17)(H,12,14,15).
What are the key properties of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one?
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80763940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).