(5-bromo-2-methylpyrimidin-4-yl)methanamine

C6H8BrN3 — CID 82506310

IUPAC(5-bromo-2-methylpyrimidin-4-yl)methanamine
SMILESCc1ncc(Br)c(CN)n1
InChIInChI=1S/C6H8BrN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,2,8H2,1H3
InChIKeyDLWHRZXAXQJMDG-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.01
Rot. Bonds1

About (5-bromo-2-methylpyrimidin-4-yl)methanamine

(5-bromo-2-methylpyrimidin-4-yl)methanamine (PubChem CID 82506310) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is (5-bromo-2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylpyrimidin-4-yl)methanamine
PubChem CID82506310
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name(5-bromo-2-methylpyrimidin-4-yl)methanamine
SMILESCc1ncc(Br)c(CN)n1
InChIInChI=1S/C6H8BrN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,2,8H2,1H3
InChIKeyDLWHRZXAXQJMDG-UHFFFAOYSA-N
XLogP1.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-ethyl-2-methylpyrimidine;ethane
CID 162730245
2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
1-[4-(aminomethyl)-2-methylpyrimidin-5-yl]-2,2-dimethylpropan-1-one
CID 82507342
(2,5-dimethylpyrimidin-4-yl)methanol
CID 58143239
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
CID 130639014
5-bromo-2-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 131140618
1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 83844357
1-(5-bromo-2-methylpyrimidin-4-yl)ethanone
CID 83886527
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (5-bromo-2-methylpyrimidin-4-yl)methanamine (CID 82506310) is (5-bromo-2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylpyrimidin-4-yl)methanamine is Cc1ncc(Br)c(CN)n1.
What is the InChIKey of (5-bromo-2-methylpyrimidin-4-yl)methanamine?
The InChIKey is DLWHRZXAXQJMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,2,8H2,1H3.
What are the key properties of (5-bromo-2-methylpyrimidin-4-yl)methanamine?
(5-bromo-2-methylpyrimidin-4-yl)methanamine has a molecular weight of 202.06 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 82506310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).