2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine

C12H8Cl2FN3 — CID 158376549

IUPAC2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Cl)nc(Cl)c1-2
InChIInChI=1S/C12H8Cl2FN3/c1-16-8-3-5(15)2-7-6(8)4-9-10(7)11(13)18-12(14)17-9/h2-3,16H,4H2,1H3
InChIKeyMUWFQBZIVWWDHB-UHFFFAOYSA-N
MW284.12 g/mol
LogP3.54
Rot. Bonds1

About 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine

2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 158376549) has the molecular formula C12H8Cl2FN3 and a molecular weight of 284.12 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
PubChem CID158376549
Molecular FormulaC12H8Cl2FN3
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Cl)nc(Cl)c1-2
InChIInChI=1S/C12H8Cl2FN3/c1-16-8-3-5(15)2-7-6(8)4-9-10(7)11(13)18-12(14)17-9/h2-3,16H,4H2,1H3
InChIKeyMUWFQBZIVWWDHB-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine (CID 158376549) is 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cc(F)cc2c1Cc1nc(Cl)nc(Cl)c1-2.
What is the InChIKey of 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is MUWFQBZIVWWDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3/c1-16-8-3-5(15)2-7-6(8)4-9-10(7)11(13)18-12(14)17-9/h2-3,16H,4H2,1H3.
What are the key properties of 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine?
2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 284.12 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 158376549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).