6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one

C13H11ClN4O — CID 62758930

IUPAC6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccncn3)c(Cl)cc2N1
InChIInChI=1S/C13H11ClN4O/c14-10-5-11-8(4-13(19)18-11)3-12(10)16-6-9-1-2-15-7-17-9/h1-3,5,7,16H,4,6H2,(H,18,19)
InChIKeyBVEBLHIEJXRXJX-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.24
Rot. Bonds3

About 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one

6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 62758930) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one
PubChem CID62758930
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCc3ccncn3)c(Cl)cc2N1
InChIInChI=1S/C13H11ClN4O/c14-10-5-11-8(4-13(19)18-11)3-12(10)16-6-9-1-2-15-7-17-9/h1-3,5,7,16H,4,6H2,(H,18,19)
InChIKeyBVEBLHIEJXRXJX-UHFFFAOYSA-N
XLogP2.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one (CID 62758930) is 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one is O=C1Cc2cc(NCc3ccncn3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is BVEBLHIEJXRXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-10-5-11-8(4-13(19)18-11)3-12(10)16-6-9-1-2-15-7-17-9/h1-3,5,7,16H,4,6H2,(H,18,19).
What are the key properties of 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one?
6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 274.71 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(pyrimidin-4-ylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62758930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).