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

C17H10ClN3O — CID 17035744

IUPAC2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C17H10ClN3O/c18-10-7-5-9(6-8-10)14-13-15(21-17(19)20-14)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,19,20,21)
InChIKeyOFUMHZAEMLRAEP-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.59
Rot. Bonds1

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

2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 17035744) has the molecular formula C17H10ClN3O and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID17035744
Molecular FormulaC17H10ClN3O
Molecular Weight307.74 g/mol
Exact Mass307.05
IUPAC Name2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O
InChIInChI=1S/C17H10ClN3O/c18-10-7-5-9(6-8-10)14-13-15(21-17(19)20-14)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,19,20,21)
InChIKeyOFUMHZAEMLRAEP-UHFFFAOYSA-N
XLogP3.59
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one (CID 17035744) is 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is OFUMHZAEMLRAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O/c18-10-7-5-9(6-8-10)14-13-15(21-17(19)20-14)11-3-1-2-4-12(11)16(13)22/h1-8H,(H2,19,20,21).
What are the key properties of 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 307.74 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 17035744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).