5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C13H19ClN4O — CID 80950848

IUPAC5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCC(C)c1nc(Cl)cc(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H19ClN4O/c1-8(2)13-16-10(14)6-11(17-13)15-9-4-5-12(19)18(3)7-9/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyHJUFLFVNOWSIEP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.29
Rot. Bonds3

About 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 80950848) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID80950848
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCC(C)c1nc(Cl)cc(NC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H19ClN4O/c1-8(2)13-16-10(14)6-11(17-13)15-9-4-5-12(19)18(3)7-9/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyHJUFLFVNOWSIEP-UHFFFAOYSA-N
XLogP2.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 97003688
3-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 80951811
6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951804
1-methyl-5-[[6-(methylamino)pyrazin-2-yl]amino]piperidin-2-one
CID 80843926
5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 134710911
5-[(6-aminoquinolin-2-yl)amino]-1-methylpiperidin-2-one
CID 64655505
5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669439
5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64667801
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669595
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
6-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106193946
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 80950848) is 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CC(C)c1nc(Cl)cc(NC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is HJUFLFVNOWSIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-8(2)13-16-10(14)6-11(17-13)15-9-4-5-12(19)18(3)7-9/h6,8-9H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 80950848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).