5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one

C11H17N5O — CID 80834672

IUPAC5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1cc(NC2CCC(=O)NC2)ncn1
InChIInChI=1S/C11H17N5O/c1-2-12-9-5-10(15-7-14-9)16-8-3-4-11(17)13-6-8/h5,7-8H,2-4,6H2,1H3,(H,13,17)(H2,12,14,15,16)
InChIKeyRHACSQPKXNLBHU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.60
Rot. Bonds4

About 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one

5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 80834672) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID80834672
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1cc(NC2CCC(=O)NC2)ncn1
InChIInChI=1S/C11H17N5O/c1-2-12-9-5-10(15-7-14-9)16-8-3-4-11(17)13-6-8/h5,7-8H,2-4,6H2,1H3,(H,13,17)(H2,12,14,15,16)
InChIKeyRHACSQPKXNLBHU-UHFFFAOYSA-N
XLogP0.60
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361
5-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80816175
5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one
CID 114565081
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834053
5-[(6-chloro-2-propylpyrimidin-4-yl)amino]piperidin-2-one
CID 80946515
6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80782563
4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one
CID 114156242
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157084
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80833810
(5S)-5-(ethylamino)piperidin-2-one
CID 89165627
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198301

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one (CID 80834672) is 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one is CCNc1cc(NC2CCC(=O)NC2)ncn1.
What is the InChIKey of 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is RHACSQPKXNLBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-12-9-5-10(15-7-14-9)16-8-3-4-11(17)13-6-8/h5,7-8H,2-4,6H2,1H3,(H,13,17)(H2,12,14,15,16).
What are the key properties of 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80834672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).