2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C22H21N5O — CID 56895167

IUPAC2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2c[nH]c3ccccc23)nc2c1CNC2
InChIInChI=1S/C22H21N5O/c1-28-20-9-5-2-6-14(20)10-25-21-17-11-23-13-19(17)26-22(27-21)16-12-24-18-8-4-3-7-15(16)18/h2-9,12,23-24H,10-11,13H2,1H3,(H,25,26,27)
InChIKeyHPPHPACYCLZWII-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.85
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56895167) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56895167
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1nc(-c2c[nH]c3ccccc23)nc2c1CNC2
InChIInChI=1S/C22H21N5O/c1-28-20-9-5-2-6-14(20)10-25-21-17-11-23-13-19(17)26-22(27-21)16-12-24-18-8-4-3-7-15(16)18/h2-9,12,23-24H,10-11,13H2,1H3,(H,25,26,27)
InChIKeyHPPHPACYCLZWII-UHFFFAOYSA-N
XLogP3.85
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56898791
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 169040637
2-[5-(1H-indol-3-yl)tetrazol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1454693
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
2-(1H-indol-3-yl)-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56913022
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
2-chloro-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82460701
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
(1S,5R)-8-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56886862
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56895167) is 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COc1ccccc1CNc1nc(-c2c[nH]c3ccccc23)nc2c1CNC2.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HPPHPACYCLZWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-28-20-9-5-2-6-14(20)10-25-21-17-11-23-13-19(17)26-22(27-21)16-12-24-18-8-4-3-7-15(16)18/h2-9,12,23-24H,10-11,13H2,1H3,(H,25,26,27).
What are the key properties of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56895167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).