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

C12H8N4O4 — CID 4631738

IUPAC7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccco1
InChIInChI=1S/C12H8N4O4/c13-4-5-7(6-2-1-3-19-6)8-10(17)15-12(18)16-11(8)20-9(5)14/h1-3,7H,14H2,(H2,15,16,17,18)
InChIKeyWQNUZEPYEIILRB-UHFFFAOYSA-N
MW272.22 g/mol
LogP-0.13
Rot. Bonds1

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

7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 4631738) has the molecular formula C12H8N4O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID4631738
Molecular FormulaC12H8N4O4
Molecular Weight272.22 g/mol
Exact Mass272.05
IUPAC Name7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccco1
InChIInChI=1S/C12H8N4O4/c13-4-5-7(6-2-1-3-19-6)8-10(17)15-12(18)16-11(8)20-9(5)14/h1-3,7H,14H2,(H2,15,16,17,18)
InChIKeyWQNUZEPYEIILRB-UHFFFAOYSA-N
XLogP-0.13
TPSA137.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 4631738) is 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccco1.
What is the InChIKey of 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is WQNUZEPYEIILRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4/c13-4-5-7(6-2-1-3-19-6)8-10(17)15-12(18)16-11(8)20-9(5)14/h1-3,7H,14H2,(H2,15,16,17,18).
What are the key properties of 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 272.22 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(furan-2-yl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 4631738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).