6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine

C8H9BrClN3 — CID 106195518

IUPAC6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
SMILESC=C(Cl)CNc1cc(Br)nc(C)n1
InChIInChI=1S/C8H9BrClN3/c1-5(10)4-11-8-3-7(9)12-6(2)13-8/h3H,1,4H2,2H3,(H,11,12,13)
InChIKeyYRUIFVGTOZXZIA-UHFFFAOYSA-N
MW262.54 g/mol
LogP2.71
Rot. Bonds3

About 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine

6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine (PubChem CID 106195518) has the molecular formula C8H9BrClN3 and a molecular weight of 262.54 g/mol. Its IUPAC name is 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
PubChem CID106195518
Molecular FormulaC8H9BrClN3
Molecular Weight262.54 g/mol
Exact Mass260.97
IUPAC Name6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine
SMILESC=C(Cl)CNc1cc(Br)nc(C)n1
InChIInChI=1S/C8H9BrClN3/c1-5(10)4-11-8-3-7(9)12-6(2)13-8/h3H,1,4H2,2H3,(H,11,12,13)
InChIKeyYRUIFVGTOZXZIA-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine
CID 115637255
6-bromo-N-(2-chloroprop-2-enyl)pyridin-2-amine
CID 106195547
6-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907365
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
6-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 106014088
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
N-(2-chloroprop-2-enyl)-5-fluoro-2,6-dimethylpyrimidin-4-amine
CID 131181575
4-bromo-6-chloro-2-methylpyrimidine
CID 66521090
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
6-bromo-2-methyl-N-prop-2-ynoxypyrimidin-4-amine
CID 130605439

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine (CID 106195518) is 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine is C=C(Cl)CNc1cc(Br)nc(C)n1.
What is the InChIKey of 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine?
The InChIKey is YRUIFVGTOZXZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3/c1-5(10)4-11-8-3-7(9)12-6(2)13-8/h3H,1,4H2,2H3,(H,11,12,13).
What are the key properties of 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine?
6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine has a molecular weight of 262.54 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-chloroprop-2-enyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106195518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).