4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine

C18H16BrN3O — CID 11440111

IUPAC4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESCC(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2
InChIInChI=1S/C18H16BrN3O/c1-9(2)10-3-4-11-8-13-16(12(11)7-10)21-18(20)22-17(13)14-5-6-15(19)23-14/h3-7,9H,8H2,1-2H3,(H2,20,21,22)
InChIKeyJVGSJLSEXDJERU-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.78
Rot. Bonds2

About 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine

4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine (PubChem CID 11440111) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine
PubChem CID11440111
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine
SMILESCC(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2
InChIInChI=1S/C18H16BrN3O/c1-9(2)10-3-4-11-8-13-16(12(11)7-10)21-18(20)22-17(13)14-5-6-15(19)23-14/h3-7,9H,8H2,1-2H3,(H2,20,21,22)
InChIKeyJVGSJLSEXDJERU-UHFFFAOYSA-N
XLogP4.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 10445452
4-(5-bromofuran-2-yl)-8-chloro-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389614
2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 46888889
4-(5-bromofuran-2-yl)-8-ethyl-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389566
4-(furan-2-yl)-8-methyl-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389578
8-methyl-4-(5-methylfuran-2-yl)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389579
4-(5-bromofuran-2-yl)-8-phenyl-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389589
4-(5-bromofuran-2-yl)-8-tert-butyl-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389602
4-(5-bromofuran-2-yl)-8-pyrrolidin-1-yl-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389603
4-(5-bromofuran-2-yl)-8-methyl-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389611
[5-(2-amino-8-methyl-5H-indeno[1,2-d]pyrimidin-4-yl)furan-2-yl]methanol
CID 44389615
4-(5-bromofuran-2-yl)-8-methoxy-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389622

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine (CID 11440111) is 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine is CC(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2.
What is the InChIKey of 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine?
The InChIKey is JVGSJLSEXDJERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-9(2)10-3-4-11-8-13-16(12(11)7-10)21-18(20)22-17(13)14-5-6-15(19)23-14/h3-7,9H,8H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine?
4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine has a molecular weight of 370.25 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-yl)-8-propan-2-yl-5H-indeno[1,2-d]pyrimidin-2-amine is sourced from PubChem (CID 11440111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).