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

C13H10N4O4 — CID 4632042

IUPAC7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)o1
InChIInChI=1S/C13H10N4O4/c1-5-2-3-7(20-5)8-6(4-14)10(15)21-12-9(8)11(18)16-13(19)17-12/h2-3,8H,15H2,1H3,(H2,16,17,18,19)
InChIKeyZTHNGIXDYKMBMG-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.18
Rot. Bonds1

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

7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 4632042) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID4632042
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC Name7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)o1
InChIInChI=1S/C13H10N4O4/c1-5-2-3-7(20-5)8-6(4-14)10(15)21-12-9(8)11(18)16-13(19)17-12/h2-3,8H,15H2,1H3,(H2,16,17,18,19)
InChIKeyZTHNGIXDYKMBMG-UHFFFAOYSA-N
XLogP0.18
TPSA137.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 4632042) is 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)o1.
What is the InChIKey of 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is ZTHNGIXDYKMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c1-5-2-3-7(20-5)8-6(4-14)10(15)21-12-9(8)11(18)16-13(19)17-12/h2-3,8H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 286.25 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(5-methylfuran-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 4632042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).