5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine

C14H17BrN4O — CID 66295909

IUPAC5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)noc2C)nc(C2CC2)c1Br
InChIInChI=1S/C14H17BrN4O/c1-4-16-14-11(15)12(9-5-6-9)17-13(18-14)10-7(2)19-20-8(10)3/h9H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyJKOWYXIIMLWGSJ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.82
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine (PubChem CID 66295909) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
PubChem CID66295909
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2c(C)noc2C)nc(C2CC2)c1Br
InChIInChI=1S/C14H17BrN4O/c1-4-16-14-11(15)12(9-5-6-9)17-13(18-14)10-7(2)19-20-8(10)3/h9H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyJKOWYXIIMLWGSJ-UHFFFAOYSA-N
XLogP3.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine (CID 66295909) is 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2c(C)noc2C)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is JKOWYXIIMLWGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-4-16-14-11(15)12(9-5-6-9)17-13(18-14)10-7(2)19-20-8(10)3/h9H,4-6H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 337.22 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66295909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).