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'}

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Related Compounds

4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479
4-N-(4-methoxy-3-methylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265439
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
2-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]-2-oxoacetic acid
CID 115141221
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
1-cyano-N-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)formamide
CID 115171999
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
5-[(4-amino-2,2-dimethylbutyl)-methylamino]-1,3-dihydroindol-2-one
CID 115204316
5-[(2-aminocyclohexyl)-methylamino]-1,3-dihydroindol-2-one
CID 115117886
3-methyl-3-[methyl-(2-oxo-1,3-dihydroindol-5-yl)amino]butanoic acid
CID 117042344

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).