5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one

C14H15N5O — CID 115265454

IUPAC5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
SMILESCNc1cc(N(C)c2ccc3c(c2)CC(=O)N3)ncn1
InChIInChI=1S/C14H15N5O/c1-15-12-7-13(17-8-16-12)19(2)10-3-4-11-9(5-10)6-14(20)18-11/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,15,16,17)
InChIKeySSGQZBOSCDWMCF-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.78
Rot. Bonds3

About 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one

5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 115265454) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
PubChem CID115265454
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one
SMILESCNc1cc(N(C)c2ccc3c(c2)CC(=O)N3)ncn1
InChIInChI=1S/C14H15N5O/c1-15-12-7-13(17-8-16-12)19(2)10-3-4-11-9(5-10)6-14(20)18-11/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,15,16,17)
InChIKeySSGQZBOSCDWMCF-UHFFFAOYSA-N
XLogP1.78
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one (CID 115265454) is 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one is CNc1cc(N(C)c2ccc3c(c2)CC(=O)N3)ncn1.
What is the InChIKey of 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is SSGQZBOSCDWMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-15-12-7-13(17-8-16-12)19(2)10-3-4-11-9(5-10)6-14(20)18-11/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,15,16,17).
What are the key properties of 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one?
5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 115265454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).