5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine

C12H10BrCl2N3 — CID 79438613

IUPAC5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C12H10BrCl2N3/c1-18(2)12-16-10(14)9(11(15)17-12)7-3-5-8(13)6-4-7/h3-6H,1-2H3
InChIKeyGRWAQQOASYSSAI-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.28
Rot. Bonds2

About 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine

5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine (PubChem CID 79438613) has the molecular formula C12H10BrCl2N3 and a molecular weight of 347.04 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine
PubChem CID79438613
Molecular FormulaC12H10BrCl2N3
Molecular Weight347.04 g/mol
Exact Mass344.94
IUPAC Name5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C12H10BrCl2N3/c1-18(2)12-16-10(14)9(11(15)17-12)7-3-5-8(13)6-4-7/h3-6H,1-2H3
InChIKeyGRWAQQOASYSSAI-UHFFFAOYSA-N
XLogP4.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine (CID 79438613) is 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine is CN(C)c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1.
What is the InChIKey of 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine?
The InChIKey is GRWAQQOASYSSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3/c1-18(2)12-16-10(14)9(11(15)17-12)7-3-5-8(13)6-4-7/h3-6H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine?
5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine has a molecular weight of 347.04 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 79438613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).