5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C11H13Br2N3 — CID 70507182

IUPAC5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CC(c2cc(Br)cc(Br)c2)CN=C1N
InChIInChI=1S/C11H13Br2N3/c1-16-6-8(5-15-11(16)14)7-2-9(12)4-10(13)3-7/h2-4,8H,5-6H2,1H3,(H2,14,15)
InChIKeyNLBUFCXPJHOBQW-UHFFFAOYSA-N
MW347.05 g/mol
LogP2.56
Rot. Bonds1

About 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 70507182) has the molecular formula C11H13Br2N3 and a molecular weight of 347.05 g/mol. Its IUPAC name is 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID70507182
Molecular FormulaC11H13Br2N3
Molecular Weight347.05 g/mol
Exact Mass344.95
IUPAC Name5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CC(c2cc(Br)cc(Br)c2)CN=C1N
InChIInChI=1S/C11H13Br2N3/c1-16-6-8(5-15-11(16)14)7-2-9(12)4-10(13)3-7/h2-4,8H,5-6H2,1H3,(H2,14,15)
InChIKeyNLBUFCXPJHOBQW-UHFFFAOYSA-N
XLogP2.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 70507182) is 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CN1CC(c2cc(Br)cc(Br)c2)CN=C1N.
What is the InChIKey of 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is NLBUFCXPJHOBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3/c1-16-6-8(5-15-11(16)14)7-2-9(12)4-10(13)3-7/h2-4,8H,5-6H2,1H3,(H2,14,15).
What are the key properties of 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 347.05 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromophenyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 70507182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).