5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one

C10H12BrN5O — CID 136786660

IUPAC5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1cnn(CCNc2nc[nH]c(=O)c2Br)c1
InChIInChI=1S/C10H12BrN5O/c1-7-4-15-16(5-7)3-2-12-9-8(11)10(17)14-6-13-9/h4-6H,2-3H2,1H3,(H2,12,13,14,17)
InChIKeyWQGKHTGLGTUFOW-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.15
Rot. Bonds4

About 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136786660) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136786660
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCc1cnn(CCNc2nc[nH]c(=O)c2Br)c1
InChIInChI=1S/C10H12BrN5O/c1-7-4-15-16(5-7)3-2-12-9-8(11)10(17)14-6-13-9/h4-6H,2-3H2,1H3,(H2,12,13,14,17)
InChIKeyWQGKHTGLGTUFOW-UHFFFAOYSA-N
XLogP1.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one (CID 136786660) is 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one is Cc1cnn(CCNc2nc[nH]c(=O)c2Br)c1.
What is the InChIKey of 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WQGKHTGLGTUFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-7-4-15-16(5-7)3-2-12-9-8(11)10(17)14-6-13-9/h4-6H,2-3H2,1H3,(H2,12,13,14,17).
What are the key properties of 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 298.14 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136786660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).