7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C19H24N6 — CID 167097742

IUPAC7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNCCCn1cc(-c2ccc3c(c2)CCN3C)c2c(N)ncnc21
InChIInChI=1S/C19H24N6/c1-21-7-3-8-25-11-15(17-18(20)22-12-23-19(17)25)13-4-5-16-14(10-13)6-9-24(16)2/h4-5,10-12,21H,3,6-9H2,1-2H3,(H2,20,22,23)
InChIKeyIILOYXLPYYFCSE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.28
Rot. Bonds5

About 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167097742) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167097742
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNCCCn1cc(-c2ccc3c(c2)CCN3C)c2c(N)ncnc21
InChIInChI=1S/C19H24N6/c1-21-7-3-8-25-11-15(17-18(20)22-12-23-19(17)25)13-4-5-16-14(10-13)6-9-24(16)2/h4-5,10-12,21H,3,6-9H2,1-2H3,(H2,20,22,23)
InChIKeyIILOYXLPYYFCSE-UHFFFAOYSA-N
XLogP2.28
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

tert-butyl 4-[3-[4-amino-5-[1-[2-[3-(trifluoromethoxy)phenyl]acetyl]-2,3-dihydroindol-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]propylamino]-4-oxobutanoate
CID 163392910
1-[5-[4-amino-7-(3-methylbutyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 53468470
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 53468253
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(3,5-dichlorophenyl)ethanone
CID 66823605
4-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-5-amine
CID 62082202
5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-N-cyclobutyl-2,3-dihydroindole-1-carboxamide
CID 121334801
5-(1-methyl-2,3-dihydroindol-5-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 62095299
7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 150330837
5-[3-fluoro-4-(methylamino)phenyl]-7-(1-methylpiperidin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 166871957
5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 135198115
5-bromo-6-methyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrimidin-4-amine
CID 66303212
1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 82541625

Frequently Asked Questions

What is the IUPAC name of 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 167097742) is 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CNCCCn1cc(-c2ccc3c(c2)CCN3C)c2c(N)ncnc21.
What is the InChIKey of 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IILOYXLPYYFCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-21-7-3-8-25-11-15(17-18(20)22-12-23-19(17)25)13-4-5-16-14(10-13)6-9-24(16)2/h4-5,10-12,21H,3,6-9H2,1-2H3,(H2,20,22,23).
What are the key properties of 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methylamino)propyl]-5-(1-methyl-2,3-dihydroindol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167097742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).