5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one

C8H12BrN3O — CID 163196664

IUPAC5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCC(C)Nc1ncc(Br)c(=O)n1C
InChIInChI=1S/C8H12BrN3O/c1-5(2)11-8-10-4-6(9)7(13)12(8)3/h4-5H,1-3H3,(H,10,11)
InChIKeyNUSVGJIMJAXCJT-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.36
Rot. Bonds2

About 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one

5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one (PubChem CID 163196664) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one
PubChem CID163196664
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one
SMILESCC(C)Nc1ncc(Br)c(=O)n1C
InChIInChI=1S/C8H12BrN3O/c1-5(2)11-8-10-4-6(9)7(13)12(8)3/h4-5H,1-3H3,(H,10,11)
InChIKeyNUSVGJIMJAXCJT-UHFFFAOYSA-N
XLogP1.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one (CID 163196664) is 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one is CC(C)Nc1ncc(Br)c(=O)n1C.
What is the InChIKey of 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
The InChIKey is NUSVGJIMJAXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(2)11-8-10-4-6(9)7(13)12(8)3/h4-5H,1-3H3,(H,10,11).
What are the key properties of 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one?
5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one has a molecular weight of 246.11 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-(propan-2-ylamino)pyrimidin-4-one is sourced from PubChem (CID 163196664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).