4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine

C19H15BrN4O — CID 53362321

IUPAC4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C19H15BrN4O/c1-25-13-4-2-3-11(7-13)15-9-23-19(21)24-18(15)16-10-22-17-6-5-12(20)8-14(16)17/h2-10,22H,1H3,(H2,21,23,24)
InChIKeyVSHYUOKXZPCJBR-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.65
Rot. Bonds3

About 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine

4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 53362321) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID53362321
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C19H15BrN4O/c1-25-13-4-2-3-11(7-13)15-9-23-19(21)24-18(15)16-10-22-17-6-5-12(20)8-14(16)17/h2-10,22H,1H3,(H2,21,23,24)
InChIKeyVSHYUOKXZPCJBR-UHFFFAOYSA-N
XLogP4.65
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine (CID 53362321) is 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(-c2cnc(N)nc2-c2c[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is VSHYUOKXZPCJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-25-13-4-2-3-11(7-13)15-9-23-19(21)24-18(15)16-10-22-17-6-5-12(20)8-14(16)17/h2-10,22H,1H3,(H2,21,23,24).
What are the key properties of 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine?
4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 395.26 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1H-indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 53362321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).