8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C16H16BrN5S — CID 59030681

IUPAC8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCc1nc(C2(c3cccc(Br)c3)N=C(N)N3CCCN=C32)cs1
InChIInChI=1S/C16H16BrN5S/c1-10-20-13(9-23-10)16(11-4-2-5-12(17)8-11)14-19-6-3-7-22(14)15(18)21-16/h2,4-5,8-9H,3,6-7H2,1H3,(H2,18,21)
InChIKeyOEZBORDLRRNNBF-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.89
Rot. Bonds2

About 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 59030681) has the molecular formula C16H16BrN5S and a molecular weight of 390.31 g/mol. Its IUPAC name is 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID59030681
Molecular FormulaC16H16BrN5S
Molecular Weight390.31 g/mol
Exact Mass389.03
IUPAC Name8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCc1nc(C2(c3cccc(Br)c3)N=C(N)N3CCCN=C32)cs1
InChIInChI=1S/C16H16BrN5S/c1-10-20-13(9-23-10)16(11-4-2-5-12(17)8-11)14-19-6-3-7-22(14)15(18)21-16/h2,4-5,8-9H,3,6-7H2,1H3,(H2,18,21)
InChIKeyOEZBORDLRRNNBF-UHFFFAOYSA-N
XLogP2.89
TPSA66.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 59030681) is 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is Cc1nc(C2(c3cccc(Br)c3)N=C(N)N3CCCN=C32)cs1.
What is the InChIKey of 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is OEZBORDLRRNNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5S/c1-10-20-13(9-23-10)16(11-4-2-5-12(17)8-11)14-19-6-3-7-22(14)15(18)21-16/h2,4-5,8-9H,3,6-7H2,1H3,(H2,18,21).
What are the key properties of 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 390.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-8-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 59030681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).