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

C18H13N3O2 — CID 46888987

IUPAC2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCOc1ccccc1-c1nc(N)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C18H13N3O2/c1-23-13-9-5-4-8-12(13)16-14-15(20-18(19)21-16)10-6-2-3-7-11(10)17(14)22/h2-9H,1H3,(H2,19,20,21)
InChIKeyJROZPIIZGDQZCP-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.95
Rot. Bonds2

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

2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888987) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888987
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCOc1ccccc1-c1nc(N)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C18H13N3O2/c1-23-13-9-5-4-8-12(13)16-14-15(20-18(19)21-16)10-6-2-3-7-11(10)17(14)22/h2-9H,1H3,(H2,19,20,21)
InChIKeyJROZPIIZGDQZCP-UHFFFAOYSA-N
XLogP2.95
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one (CID 46888987) is 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one is COc1ccccc1-c1nc(N)nc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is JROZPIIZGDQZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-23-13-9-5-4-8-12(13)16-14-15(20-18(19)21-16)10-6-2-3-7-11(10)17(14)22/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 303.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).