5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine

C11H13BrN4O — CID 78961715

IUPAC5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1noc(C)c1C(C)Nc1ncc(Br)cn1
InChIInChI=1S/C11H13BrN4O/c1-6(10-7(2)16-17-8(10)3)15-11-13-4-9(12)5-14-11/h4-6H,1-3H3,(H,13,14,15)
InChIKeyPOFXTWLRUYRDDS-UHFFFAOYSA-N
MW297.16 g/mol
LogP3.02
Rot. Bonds3

About 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine

5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 78961715) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
PubChem CID78961715
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
SMILESCc1noc(C)c1C(C)Nc1ncc(Br)cn1
InChIInChI=1S/C11H13BrN4O/c1-6(10-7(2)16-17-8(10)3)15-11-13-4-9(12)5-14-11/h4-6H,1-3H3,(H,13,14,15)
InChIKeyPOFXTWLRUYRDDS-UHFFFAOYSA-N
XLogP3.02
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]quinazolin-2-amine
CID 114789182
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 79002925
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-2-carbothioamide
CID 115488708
1-(3-bromophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]ethanamine
CID 79145036
2-bromo-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzonitrile
CID 114881173
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]naphthalen-2-amine
CID 79242430
5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 103468728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine (CID 78961715) is 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine is Cc1noc(C)c1C(C)Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is POFXTWLRUYRDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-6(10-7(2)16-17-8(10)3)15-11-13-4-9(12)5-14-11/h4-6H,1-3H3,(H,13,14,15).
What are the key properties of 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine?
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 297.16 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 78961715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).