N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine

C23H32N6O — CID 156843401

IUPACN'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCN1CCC[C@H]1COc1nc2c(c(NCCN)n1)CN(C1CCc3ccccc31)C2
InChIInChI=1S/C23H32N6O/c1-28-12-4-6-17(28)15-30-23-26-20-14-29(13-19(20)22(27-23)25-11-10-24)21-9-8-16-5-2-3-7-18(16)21/h2-3,5,7,17,21H,4,6,8-15,24H2,1H3,(H,25,26,27)/t17-,21?/m0/s1
InChIKeyCRGHABAYCRSVND-PBVYKCSPSA-N
MW408.55 g/mol
LogP2.32
Rot. Bonds7

About N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine

N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 156843401) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID156843401
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCN1CCC[C@H]1COc1nc2c(c(NCCN)n1)CN(C1CCc3ccccc31)C2
InChIInChI=1S/C23H32N6O/c1-28-12-4-6-17(28)15-30-23-26-20-14-29(13-19(20)22(27-23)25-11-10-24)21-9-8-16-5-2-3-7-18(16)21/h2-3,5,7,17,21H,4,6,8-15,24H2,1H3,(H,25,26,27)/t17-,21?/m0/s1
InChIKeyCRGHABAYCRSVND-PBVYKCSPSA-N
XLogP2.32
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine with MolForge

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Related Compounds

6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(3S)-3-prop-2-ynylpiperidin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 160591863
(2R)-4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]piperazine-2-carbonitrile
CID 166746383
1-[4-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-2-prop-2-ynylpiperazin-1-yl]prop-2-en-1-one
CID 156843708
CID 156843358
CID 156843358
tert-butyl 3-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(3-oxo-1,2-dihydroinden-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 170375344
(3S)-4'-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,7'-6,8-dihydro-5H-quinazoline]
CID 172744560
5-[4-(2-aminoethylamino)-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 164904127
benzyl 4-[2-cyano-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[(1-methylpyrrolidin-2-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 134326362
4'-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2'-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[1,2-dihydroindene-3,7'-6,8-dihydro-5H-quinazoline]
CID 172775350
tert-butyl 4-[7-benzyl-2-[(1-methylpyrrolidin-2-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 158570309
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 154627855
N'-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]ethane-1,2-diamine
CID 164903996

Frequently Asked Questions

What is the IUPAC name of N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine (CID 156843401) is N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine is CN1CCC[C@H]1COc1nc2c(c(NCCN)n1)CN(C1CCc3ccccc31)C2.
What is the InChIKey of N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is CRGHABAYCRSVND-PBVYKCSPSA-N. The full InChI is InChI=1S/C23H32N6O/c1-28-12-4-6-17(28)15-30-23-26-20-14-29(13-19(20)22(27-23)25-11-10-24)21-9-8-16-5-2-3-7-18(16)21/h2-3,5,7,17,21H,4,6,8-15,24H2,1H3,(H,25,26,27)/t17-,21?/m0/s1.
What are the key properties of N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine?
N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 408.55 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2,3-dihydro-1H-inden-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 156843401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).