5-bromo-2-methyl-6-propylpyrimidin-4-amine

C8H12BrN3 — CID 66307126

IUPAC5-bromo-2-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C)nc(N)c1Br
InChIInChI=1S/C8H12BrN3/c1-3-4-6-7(9)8(10)12-5(2)11-6/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeyHOKSSQRCZBGPIU-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.08
Rot. Bonds2

About 5-bromo-2-methyl-6-propylpyrimidin-4-amine

5-bromo-2-methyl-6-propylpyrimidin-4-amine (PubChem CID 66307126) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 5-bromo-2-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-6-propylpyrimidin-4-amine
PubChem CID66307126
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name5-bromo-2-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C)nc(N)c1Br
InChIInChI=1S/C8H12BrN3/c1-3-4-6-7(9)8(10)12-5(2)11-6/h3-4H2,1-2H3,(H2,10,11,12)
InChIKeyHOKSSQRCZBGPIU-UHFFFAOYSA-N
XLogP2.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66298060
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
CID 115528480
2-(6-amino-5-bromo-2-methylpyrimidin-4-yl)acetic acid
CID 83867143
5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
CID 116729384
5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
CID 66295171
5-bromo-2-(1-ethoxypropyl)-6-propylpyrimidin-4-amine
CID 116729378
5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 66307530
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
5-bromo-2-(5-methyloxolan-2-yl)-6-propylpyrimidin-4-amine
CID 82840293
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638975
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681180

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methyl-6-propylpyrimidin-4-amine (CID 66307126) is 5-bromo-2-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methyl-6-propylpyrimidin-4-amine is CCCc1nc(C)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-methyl-6-propylpyrimidin-4-amine?
The InChIKey is HOKSSQRCZBGPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-3-4-6-7(9)8(10)12-5(2)11-6/h3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-bromo-2-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-methyl-6-propylpyrimidin-4-amine has a molecular weight of 230.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).