1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine

C9H15BrN4 — CID 83844357

IUPAC1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
SMILESCc1ncc(Br)c(N(C)CC(C)N)n1
InChIInChI=1S/C9H15BrN4/c1-6(11)5-14(3)9-8(10)4-12-7(2)13-9/h4,6H,5,11H2,1-3H3
InChIKeyJRVRBFBKKBNAMZ-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.33
Rot. Bonds3

About 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine

1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 83844357) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
PubChem CID83844357
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
SMILESCc1ncc(Br)c(N(C)CC(C)N)n1
InChIInChI=1S/C9H15BrN4/c1-6(11)5-14(3)9-8(10)4-12-7(2)13-9/h4,6H,5,11H2,1-3H3
InChIKeyJRVRBFBKKBNAMZ-UHFFFAOYSA-N
XLogP1.33
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
5-bromo-N-methoxy-N,2-dimethylpyrimidin-4-amine
CID 130639014
5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
CID 130654167
1-N-methyl-1-N-(3-methylquinoxalin-2-yl)propane-1,2-diamine
CID 63760342
1-N-methyl-1-N-(4-methylpyrimidin-2-yl)propane-1,2-diamine
CID 63761938
(5-bromo-2-methylpyrimidin-4-yl)methanamine
CID 82506310
(2S)-1-[(5-bromopyrimidin-4-yl)-methylamino]propan-2-ol
CID 131203459
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755
1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine
CID 116977344
5-bromo-N-(2-chloropropyl)-N,4-dimethylpyridin-2-amine
CID 114869917
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
5-bromo-4-ethyl-2-methylpyrimidine;ethane
CID 162730245

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine (CID 83844357) is 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine is Cc1ncc(Br)c(N(C)CC(C)N)n1.
What is the InChIKey of 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is JRVRBFBKKBNAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-6(11)5-14(3)9-8(10)4-12-7(2)13-9/h4,6H,5,11H2,1-3H3.
What are the key properties of 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine?
1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 259.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2-methylpyrimidin-4-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 83844357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).