N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine

C13H14BrN3 — CID 10062901

IUPACN-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3/c1-9-8-10(2)16-13(15-9)17(3)12-7-5-4-6-11(12)14/h4-8H,1-3H3
InChIKeyVDPKEDUBRRLWNO-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.62
Rot. Bonds2

About N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine

N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 10062901) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine
PubChem CID10062901
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3/c1-9-8-10(2)16-13(15-9)17(3)12-7-5-4-6-11(12)14/h4-8H,1-3H3
InChIKeyVDPKEDUBRRLWNO-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine (CID 10062901) is N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine is Cc1cc(C)nc(N(C)c2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is VDPKEDUBRRLWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-8-10(2)16-13(15-9)17(3)12-7-5-4-6-11(12)14/h4-8H,1-3H3.
What are the key properties of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 10062901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).