N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine

C9H12BrN3 — CID 115594943

IUPACN-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine
SMILESC=C(Br)CNc1nc(C)cc(C)n1
InChIInChI=1S/C9H12BrN3/c1-6(10)5-11-9-12-7(2)4-8(3)13-9/h4H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyXOSDTKAXCVPWSS-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.41
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine

N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 115594943) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID115594943
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC NameN-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine
SMILESC=C(Br)CNc1nc(C)cc(C)n1
InChIInChI=1S/C9H12BrN3/c1-6(10)5-11-9-12-7(2)4-8(3)13-9/h4H,1,5H2,2-3H3,(H,11,12,13)
InChIKeyXOSDTKAXCVPWSS-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine (CID 115594943) is N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine is C=C(Br)CNc1nc(C)cc(C)n1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is XOSDTKAXCVPWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-6(10)5-11-9-12-7(2)4-8(3)13-9/h4H,1,5H2,2-3H3,(H,11,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine?
N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 242.12 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 115594943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).