5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C18H15BrN6O — CID 44562948

IUPAC5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3ncc(Br)c(NCc4ccccn4)n3)ccc2N1
InChIInChI=1S/C18H15BrN6O/c19-14-10-22-18(25-17(14)21-9-13-3-1-2-6-20-13)23-12-4-5-15-11(7-12)8-16(26)24-15/h1-7,10H,8-9H2,(H,24,26)(H2,21,22,23,25)
InChIKeyIGFFFJZWKLOHRI-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.48
Rot. Bonds5

About 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 44562948) has the molecular formula C18H15BrN6O and a molecular weight of 411.26 g/mol. Its IUPAC name is 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID44562948
Molecular FormulaC18H15BrN6O
Molecular Weight411.26 g/mol
Exact Mass410.05
IUPAC Name5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3ncc(Br)c(NCc4ccccn4)n3)ccc2N1
InChIInChI=1S/C18H15BrN6O/c19-14-10-22-18(25-17(14)21-9-13-3-1-2-6-20-13)23-12-4-5-15-11(7-12)8-16(26)24-15/h1-7,10H,8-9H2,(H,24,26)(H2,21,22,23,25)
InChIKeyIGFFFJZWKLOHRI-UHFFFAOYSA-N
XLogP3.48
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 44562948) is 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2cc(Nc3ncc(Br)c(NCc4ccccn4)n3)ccc2N1.
What is the InChIKey of 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is IGFFFJZWKLOHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN6O/c19-14-10-22-18(25-17(14)21-9-13-3-1-2-6-20-13)23-12-4-5-15-11(7-12)8-16(26)24-15/h1-7,10H,8-9H2,(H,24,26)(H2,21,22,23,25).
What are the key properties of 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 411.26 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-bromo-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 44562948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).