3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one

C14H23N5O — CID 80957227

IUPAC3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1cc(NC2CCCNC2=O)nc(C(C)C)n1
InChIInChI=1S/C14H23N5O/c1-4-15-11-8-12(19-13(18-11)9(2)3)17-10-6-5-7-16-14(10)20/h8-10H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyZVOVAORCXKTOKT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds5

About 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one

3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 80957227) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
PubChem CID80957227
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1cc(NC2CCCNC2=O)nc(C(C)C)n1
InChIInChI=1S/C14H23N5O/c1-4-15-11-8-12(19-13(18-11)9(2)3)17-10-6-5-7-16-14(10)20/h8-10H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyZVOVAORCXKTOKT-UHFFFAOYSA-N
XLogP1.72
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80954552
3-[[6-(ethylamino)-2-pyridinyl]amino]piperidin-2-one
CID 80817247
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80959273
6-N-ethyl-4-N-(2-methyloxolan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 82736485
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
CID 80817246
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
CID 80908631
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
3-(pyrimidin-4-ylamino)piperidin-2-one
CID 62093434

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one (CID 80957227) is 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one is CCNc1cc(NC2CCCNC2=O)nc(C(C)C)n1.
What is the InChIKey of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is ZVOVAORCXKTOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-15-11-8-12(19-13(18-11)9(2)3)17-10-6-5-7-16-14(10)20/h8-10H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one?
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80957227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).