2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one

C18H13N3O2 — CID 17035750

IUPAC2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCOc1cccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21)
InChIKeyOSLAUUGEAJFDHJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.95
Rot. Bonds2

About 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 17035750) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID17035750
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCOc1cccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)c1
InChIInChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21)
InChIKeyOSLAUUGEAJFDHJ-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-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one (CID 17035750) is 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one is COc1cccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is OSLAUUGEAJFDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 2-amino-4-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(3-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-(3-methoxyphenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 17035750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).