1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine

C10H17BrN4O — CID 106999965

IUPAC1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine
SMILESCCCC(N)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H17BrN4O/c1-3-4-7(12)5-13-10-14-6-8(11)9(15-10)16-2/h6-7H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyXMHZBRMPGFMXDE-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.79
Rot. Bonds6

About 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine

1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine (PubChem CID 106999965) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine
PubChem CID106999965
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine
SMILESCCCC(N)CNc1ncc(Br)c(OC)n1
InChIInChI=1S/C10H17BrN4O/c1-3-4-7(12)5-13-10-14-6-8(11)9(15-10)16-2/h6-7H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyXMHZBRMPGFMXDE-UHFFFAOYSA-N
XLogP1.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine (CID 106999965) is 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine is CCCC(N)CNc1ncc(Br)c(OC)n1.
What is the InChIKey of 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine?
The InChIKey is XMHZBRMPGFMXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-3-4-7(12)5-13-10-14-6-8(11)9(15-10)16-2/h6-7H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine?
1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine has a molecular weight of 289.18 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-4-methoxypyrimidin-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 106999965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).