2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one

C15H8ClN3O2 — CID 46888889

IUPAC2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(Cl)o2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19)
InChIKeyKWBJJVJTBOQPSD-UHFFFAOYSA-N
MW297.70 g/mol
LogP3.18
Rot. Bonds1

About 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888889) has the molecular formula C15H8ClN3O2 and a molecular weight of 297.70 g/mol. Its IUPAC name is 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888889
Molecular FormulaC15H8ClN3O2
Molecular Weight297.70 g/mol
Exact Mass297.03
IUPAC Name2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(Cl)o2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19)
InChIKeyKWBJJVJTBOQPSD-UHFFFAOYSA-N
XLogP3.18
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one (CID 46888889) is 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc(Cl)o2)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is KWBJJVJTBOQPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O2/c16-10-6-5-9(21-10)13-11-12(18-15(17)19-13)7-3-1-2-4-8(7)14(11)20/h1-6H,(H2,17,18,19).
What are the key properties of 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 297.70 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-chlorofuran-2-yl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).