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

C14H9ClN4O2 — CID 2961910

IUPAC7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2nc[nH]c(=O)c2C1c1ccccc1Cl
InChIInChI=1S/C14H9ClN4O2/c15-9-4-2-1-3-7(9)10-8(5-16)12(17)21-14-11(10)13(20)18-6-19-14/h1-4,6,10H,17H2,(H,18,19,20)
InChIKeyXFDFDDJESQERLM-UHFFFAOYSA-N
MW300.71 g/mol
LogP1.64
Rot. Bonds1

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

7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 2961910) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID2961910
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2nc[nH]c(=O)c2C1c1ccccc1Cl
InChIInChI=1S/C14H9ClN4O2/c15-9-4-2-1-3-7(9)10-8(5-16)12(17)21-14-11(10)13(20)18-6-19-14/h1-4,6,10H,17H2,(H,18,19,20)
InChIKeyXFDFDDJESQERLM-UHFFFAOYSA-N
XLogP1.64
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 2961910) is 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is N#CC1=C(N)Oc2nc[nH]c(=O)c2C1c1ccccc1Cl.
What is the InChIKey of 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is XFDFDDJESQERLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-9-4-2-1-3-7(9)10-8(5-16)12(17)21-14-11(10)13(20)18-6-19-14/h1-4,6,10H,17H2,(H,18,19,20).
What are the key properties of 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 300.71 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2-chlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2961910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).