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

C19H18N6O — CID 44562905

IUPAC5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1
InChIInChI=1S/C19H18N6O/c1-12-10-22-19(25-18(12)21-11-15-4-2-3-7-20-15)23-14-5-6-16-13(8-14)9-17(26)24-16/h2-8,10H,9,11H2,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyMRGDFKGWULXLAK-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.03
Rot. Bonds5

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

5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 44562905) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID44562905
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1
InChIInChI=1S/C19H18N6O/c1-12-10-22-19(25-18(12)21-11-15-4-2-3-7-20-15)23-14-5-6-16-13(8-14)9-17(26)24-16/h2-8,10H,9,11H2,1H3,(H,24,26)(H2,21,22,23,25)
InChIKeyMRGDFKGWULXLAK-UHFFFAOYSA-N
XLogP3.03
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 44562905) is 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1.
What is the InChIKey of 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is MRGDFKGWULXLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-10-22-19(25-18(12)21-11-15-4-2-3-7-20-15)23-14-5-6-16-13(8-14)9-17(26)24-16/h2-8,10H,9,11H2,1H3,(H,24,26)(H2,21,22,23,25).
What are the key properties of 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 346.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-4-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 44562905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).