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

C11H16ClN5O — CID 80833810

IUPAC5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1ncc(Cl)c(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H16ClN5O/c1-2-13-11-15-6-8(12)10(17-11)16-7-3-4-9(18)14-5-7/h6-7H,2-5H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyQVUXBAGTGOTAPI-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.25
Rot. Bonds4

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

5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 80833810) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
PubChem CID80833810
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1ncc(Cl)c(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H16ClN5O/c1-2-13-11-15-6-8(12)10(17-11)16-7-3-4-9(18)14-5-7/h6-7H,2-5H2,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyQVUXBAGTGOTAPI-UHFFFAOYSA-N
XLogP1.25
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one with MolForge

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Related Compounds

5-[[2-(ethylamino)quinazolin-4-yl]amino]piperidin-2-one
CID 80816791
5-chloro-2-N-ethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80784211
5-chloro-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80784884
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80841105
5-[(5-methylpyrimidin-2-yl)amino]piperidin-2-one
CID 63663569
5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834672
5-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80983534
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
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
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one (CID 80833810) is 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one is CCNc1ncc(Cl)c(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is QVUXBAGTGOTAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-2-13-11-15-6-8(12)10(17-11)16-7-3-4-9(18)14-5-7/h6-7H,2-5H2,1H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one?
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 269.74 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80833810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).