2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

C14H11N5O2 — CID 135566499

IUPAC2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2C#N)cc1
InChIInChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)
InChIKeyXIQVXNJSPIMGQQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.38
Rot. Bonds2

About 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 135566499) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID135566499
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2C#N)cc1
InChIInChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)
InChIKeyXIQVXNJSPIMGQQ-UHFFFAOYSA-N
XLogP1.38
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 135566499) is 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile is COc1ccc(-c2[nH]c3nc(N)[nH]c(=O)c3c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is XIQVXNJSPIMGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c1-21-8-4-2-7(3-5-8)11-9(6-15)10-12(17-11)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20).
What are the key properties of 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 281.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 135566499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).