2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone

C13H19ClN4O — CID 55228921

IUPAC2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(Cl)c(C)c(N(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H19ClN4O/c1-9-12(14)15-10(2)16-13(9)17(3)8-11(19)18-6-4-5-7-18/h4-8H2,1-3H3
InChIKeyCJACZZKQJSPCTH-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.81
Rot. Bonds3

About 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 55228921) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID55228921
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(Cl)c(C)c(N(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H19ClN4O/c1-9-12(14)15-10(2)16-13(9)17(3)8-11(19)18-6-4-5-7-18/h4-8H2,1-3H3
InChIKeyCJACZZKQJSPCTH-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 63728798
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80986681
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103076346
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756695
2-[(6-amino-5-chloropyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 106811767
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756697
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80936172
2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957593
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 55228921) is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is Cc1nc(Cl)c(C)c(N(C)CC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is CJACZZKQJSPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9-12(14)15-10(2)16-13(9)17(3)8-11(19)18-6-4-5-7-18/h4-8H2,1-3H3.
What are the key properties of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 282.77 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55228921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).