4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C16H15N5 — CID 22943282

IUPAC4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1c(C#N)c2c(N)ncnc2n1CCc1ccccc1
InChIInChI=1S/C16H15N5/c1-11-13(9-17)14-15(18)19-10-20-16(14)21(11)8-7-12-5-3-2-4-6-12/h2-6,10H,7-8H2,1H3,(H2,18,19,20)
InChIKeyAYMPDDYAMREBQS-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.44
Rot. Bonds3

About 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 22943282) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID22943282
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCc1c(C#N)c2c(N)ncnc2n1CCc1ccccc1
InChIInChI=1S/C16H15N5/c1-11-13(9-17)14-15(18)19-10-20-16(14)21(11)8-7-12-5-3-2-4-6-12/h2-6,10H,7-8H2,1H3,(H2,18,19,20)
InChIKeyAYMPDDYAMREBQS-UHFFFAOYSA-N
XLogP2.44
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662
4-amino-7-methyl-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166634908
7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337044
2-[6-amino-9-(2-phenylethyl)purin-8-yl]ethanol
CID 42637848
5,6-dimethyl-7-(4,4,4-trifluorobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115521663
2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]acetonitrile
CID 12951925
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 510418
N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
CID 43546324
7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43591434
2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium
CID 7069656
ethyl 4-amino-2,3,6-trimethyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate
CID 13012188

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 22943282) is 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is Cc1c(C#N)c2c(N)ncnc2n1CCc1ccccc1.
What is the InChIKey of 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is AYMPDDYAMREBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-11-13(9-17)14-15(18)19-10-20-16(14)21(11)8-7-12-5-3-2-4-6-12/h2-6,10H,7-8H2,1H3,(H2,18,19,20).
What are the key properties of 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 22943282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).