6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine

C22H21N5 — CID 50952803

IUPAC6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESCn1cc(CN2Cc3nc(N)nc(-c4ccccc4)c3C2)c2ccccc21
InChIInChI=1S/C22H21N5/c1-26-11-16(17-9-5-6-10-20(17)26)12-27-13-18-19(14-27)24-22(23)25-21(18)15-7-3-2-4-8-15/h2-11H,12-14H2,1H3,(H2,23,24,25)
InChIKeyYVJOTELRXRZXEA-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.73
Rot. Bonds3

About 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine

6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 50952803) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID50952803
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESCn1cc(CN2Cc3nc(N)nc(-c4ccccc4)c3C2)c2ccccc21
InChIInChI=1S/C22H21N5/c1-26-11-16(17-9-5-6-10-20(17)26)12-27-13-18-19(14-27)24-22(23)25-21(18)15-7-3-2-4-8-15/h2-11H,12-14H2,1H3,(H2,23,24,25)
InChIKeyYVJOTELRXRZXEA-UHFFFAOYSA-N
XLogP3.73
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-7-[(1-methylindol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930632
2-(4-chlorophenyl)-6-[(1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909054
7-[(1-methylindol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930630
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
5-[2-methyl-6-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95814034
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
1-(2-amino-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone;hydrate
CID 19883212
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
CID 166321610
1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909282
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (CID 50952803) is 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is Cn1cc(CN2Cc3nc(N)nc(-c4ccccc4)c3C2)c2ccccc21.
What is the InChIKey of 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is YVJOTELRXRZXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-26-11-16(17-9-5-6-10-20(17)26)12-27-13-18-19(14-27)24-22(23)25-21(18)15-7-3-2-4-8-15/h2-11H,12-14H2,1H3,(H2,23,24,25).
What are the key properties of 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 355.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylindol-3-yl)methyl]-4-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 50952803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).