7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C20H22N4 — CID 78021068

IUPAC7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCC2Nc1ncnc2c1ccn2C1CCCC1
InChIInChI=1S/C20H22N4/c1-4-8-16-14(5-1)9-10-18(16)23-19-17-11-12-24(15-6-2-3-7-15)20(17)22-13-21-19/h1,4-5,8,11-13,15,18H,2-3,6-7,9-10H2,(H,21,22,23)
InChIKeyFYSIUQMAKVKJJF-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.65
Rot. Bonds3

About 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 78021068) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID78021068
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)CCC2Nc1ncnc2c1ccn2C1CCCC1
InChIInChI=1S/C20H22N4/c1-4-8-16-14(5-1)9-10-18(16)23-19-17-11-12-24(15-6-2-3-7-15)20(17)22-13-21-19/h1,4-5,8,11-13,15,18H,2-3,6-7,9-10H2,(H,21,22,23)
InChIKeyFYSIUQMAKVKJJF-UHFFFAOYSA-N
XLogP4.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)cyclopentan-1-ol
CID 58944696
[(1R,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopent-2-en-1-yl]methanol
CID 66618064
[(1S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate
CID 88557248
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol
CID 166640211
4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7-[(1R,3S,4S)-3-hydroxy-4-[[methyl(sulfamoyl)amino]methyl]cyclopentyl]pyrrolo[2,3-d]pyrimidine
CID 58944568
[(2S,5R)-5-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methyl sulfamate
CID 88934639
7-[(1R,3S,4S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxy]cyclopentyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 134944488
[(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-[2-(2-propoxyethoxy)ethoxy]cyclopentyl]methyl sulfamate;methane
CID 158908853
(E)-1-[(1S,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentyl]but-1-ene-2-sulfonic acid
CID 87076704
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165069432
[(4aS,6R,7S,7aR)-6-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]dioxin-7-yl]oxy-phenoxymethanethione
CID 138958205
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;[(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate
CID 71523682

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 78021068) is 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc2c(c1)CCC2Nc1ncnc2c1ccn2C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FYSIUQMAKVKJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-4-8-16-14(5-1)9-10-18(16)23-19-17-11-12-24(15-6-2-3-7-15)20(17)22-13-21-19/h1,4-5,8,11-13,15,18H,2-3,6-7,9-10H2,(H,21,22,23).
What are the key properties of 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 78021068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).