6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile

C17H17N5O2 — CID 169238421

IUPAC6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3c(=O)n(C)cnc32)c1C
InChIInChI=1S/C17H17N5O2/c1-9-5-6-12(24-4)10(2)14(9)22-15(19)11(7-18)13-16(22)20-8-21(3)17(13)23/h5-6,8H,19H2,1-4H3
InChIKeyFMKHQGVVCHEXIN-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.80
Rot. Bonds2

About 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile

6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 169238421) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID169238421
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1ccc(C)c(-n2c(N)c(C#N)c3c(=O)n(C)cnc32)c1C
InChIInChI=1S/C17H17N5O2/c1-9-5-6-12(24-4)10(2)14(9)22-15(19)11(7-18)13-16(22)20-8-21(3)17(13)23/h5-6,8H,19H2,1-4H3
InChIKeyFMKHQGVVCHEXIN-UHFFFAOYSA-N
XLogP1.80
TPSA98.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 169238421) is 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile is COc1ccc(C)c(-n2c(N)c(C#N)c3c(=O)n(C)cnc32)c1C.
What is the InChIKey of 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is FMKHQGVVCHEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-5-6-12(24-4)10(2)14(9)22-15(19)11(7-18)13-16(22)20-8-21(3)17(13)23/h5-6,8H,19H2,1-4H3.
What are the key properties of 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile?
6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-methoxy-2,6-dimethylphenyl)-3-methyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169238421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).