2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine

C8H13BrN4 — CID 83843632

IUPAC2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1ncnc(NC(C)CN)c1Br
InChIInChI=1S/C8H13BrN4/c1-5(3-10)13-8-7(9)6(2)11-4-12-8/h4-5H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyBKWUEBJZOXGXIF-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.31
Rot. Bonds3

About 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine

2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 83843632) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID83843632
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC Name2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1ncnc(NC(C)CN)c1Br
InChIInChI=1S/C8H13BrN4/c1-5(3-10)13-8-7(9)6(2)11-4-12-8/h4-5H,3,10H2,1-2H3,(H,11,12,13)
InChIKeyBKWUEBJZOXGXIF-UHFFFAOYSA-N
XLogP1.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine (CID 83843632) is 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine is Cc1ncnc(NC(C)CN)c1Br.
What is the InChIKey of 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is BKWUEBJZOXGXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-5(3-10)13-8-7(9)6(2)11-4-12-8/h4-5H,3,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine?
2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 245.12 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-6-methylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 83843632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).