5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one

C10H11BrN4O2 — CID 136811581

IUPAC5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(CNc2nc[nH]c(=O)c2Br)oc1C
InChIInChI=1S/C10H11BrN4O2/c1-5-6(2)17-7(15-5)3-12-9-8(11)10(16)14-4-13-9/h4H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyIJPFBLDYULUACX-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.75
Rot. Bonds3

About 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one

5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136811581) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136811581
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(CNc2nc[nH]c(=O)c2Br)oc1C
InChIInChI=1S/C10H11BrN4O2/c1-5-6(2)17-7(15-5)3-12-9-8(11)10(16)14-4-13-9/h4H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyIJPFBLDYULUACX-UHFFFAOYSA-N
XLogP1.75
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136811581) is 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1nc(CNc2nc[nH]c(=O)c2Br)oc1C.
What is the InChIKey of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is IJPFBLDYULUACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-5-6(2)17-7(15-5)3-12-9-8(11)10(16)14-4-13-9/h4H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 299.13 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).