7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

C15H12N4O4 — CID 3411700

IUPAC7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C15H12N4O4/c1-22-9-5-3-2-4-7(9)10-8(6-16)12(17)23-14-11(10)13(20)18-15(21)19-14/h2-5,10H,17H2,1H3,(H2,18,19,20,21)
InChIKeyOBFYFFSIDFKAEO-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.29
Rot. Bonds2

About 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 3411700) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID3411700
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1ccccc1C1C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21
InChIInChI=1S/C15H12N4O4/c1-22-9-5-3-2-4-7(9)10-8(6-16)12(17)23-14-11(10)13(20)18-15(21)19-14/h2-5,10H,17H2,1H3,(H2,18,19,20,21)
InChIKeyOBFYFFSIDFKAEO-UHFFFAOYSA-N
XLogP0.29
TPSA133.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 3411700) is 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is COc1ccccc1C1C(C#N)=C(N)Oc2[nH]c(=O)[nH]c(=O)c21.
What is the InChIKey of 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is OBFYFFSIDFKAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-22-9-5-3-2-4-7(9)10-8(6-16)12(17)23-14-11(10)13(20)18-15(21)19-14/h2-5,10H,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 312.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 3411700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).