4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

C15H25N5O — CID 80959189

IUPAC4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCCNc1cc(N2CCN(C)C(=O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H25N5O/c1-6-16-11-9-12(18-14(17-11)15(2,3)4)20-8-7-19(5)13(21)10-20/h9H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyHHCUHADDBQTIBX-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.48
Rot. Bonds3

About 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 80959189) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID80959189
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCCNc1cc(N2CCN(C)C(=O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H25N5O/c1-6-16-11-9-12(18-14(17-11)15(2,3)4)20-8-7-19(5)13(21)10-20/h9H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyHHCUHADDBQTIBX-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80942182
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891514
2-tert-butyl-6-(3,3-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80958872
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80915875
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 106767915
4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]-1-methyl-1,4-diazepan-2-one
CID 102887866
4-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80959348
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-tert-butyl-6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80959965
4-[2-(ethylamino)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 102887827
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456

Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 80959189) is 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is CCNc1cc(N2CCN(C)C(=O)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is HHCUHADDBQTIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-6-16-11-9-12(18-14(17-11)15(2,3)4)20-8-7-19(5)13(21)10-20/h9H,6-8,10H2,1-5H3,(H,16,17,18).
What are the key properties of 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 80959189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).