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

C15H25N5O — CID 80959273

IUPAC3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
SMILESCCNc1cc(N2CCNC(=O)C2CC)nc(C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-5-11-15(21)17-7-8-20(11)13-9-12(16-6-2)18-14(19-13)10(3)4/h9-11H,5-8H2,1-4H3,(H,17,21)(H,16,18,19)
InChIKeyYVHNENFYPROTBV-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.75
Rot. Bonds5

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

3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one (PubChem CID 80959273) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
PubChem CID80959273
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
SMILESCCNc1cc(N2CCNC(=O)C2CC)nc(C(C)C)n1
InChIInChI=1S/C15H25N5O/c1-5-11-15(21)17-7-8-20(11)13-9-12(16-6-2)18-14(19-13)10(3)4/h9-11H,5-8H2,1-4H3,(H,17,21)(H,16,18,19)
InChIKeyYVHNENFYPROTBV-UHFFFAOYSA-N
XLogP1.75
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80957569
3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
3-ethyl-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-2-one
CID 80834717
3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80833683
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
CID 80957227
N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959790
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one (CID 80959273) is 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one is CCNc1cc(N2CCNC(=O)C2CC)nc(C(C)C)n1.
What is the InChIKey of 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
The InChIKey is YVHNENFYPROTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-11-15(21)17-7-8-20(11)13-9-12(16-6-2)18-14(19-13)10(3)4/h9-11H,5-8H2,1-4H3,(H,17,21)(H,16,18,19).
What are the key properties of 3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one?
3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.75, 5 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-propan-2-ylpyrimidin-4-yl]piperazin-2-one is sourced from PubChem (CID 80959273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).