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

C14H10N4O3 — CID 2837625

IUPAC7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C14H10N4O3/c15-6-8-9(7-4-2-1-3-5-7)10-12(19)17-14(20)18-13(10)21-11(8)16/h1-5,9H,16H2,(H2,17,18,19,20)
InChIKeyAWRKKZHOOOURIQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.28
Rot. Bonds1

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

7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 2837625) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID2837625
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C14H10N4O3/c15-6-8-9(7-4-2-1-3-5-7)10-12(19)17-14(20)18-13(10)21-11(8)16/h1-5,9H,16H2,(H2,17,18,19,20)
InChIKeyAWRKKZHOOOURIQ-UHFFFAOYSA-N
XLogP0.28
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 2837625) is 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1.
What is the InChIKey of 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is AWRKKZHOOOURIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-6-8-9(7-4-2-1-3-5-7)10-12(19)17-14(20)18-13(10)21-11(8)16/h1-5,9H,16H2,(H2,17,18,19,20).
What are the key properties of 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 282.26 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2837625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).