3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine

C10H14BrN3O — CID 118045322

IUPAC3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine
SMILESC[C@@H]1C[C@H](c2cnc(N)c(Br)n2)CCO1
InChIInChI=1S/C10H14BrN3O/c1-6-4-7(2-3-15-6)8-5-13-10(12)9(11)14-8/h5-7H,2-4H2,1H3,(H2,12,13)/t6-,7-/m1/s1
InChIKeyDHVSGNWEFLPPNX-RNFRBKRXSA-N
MW272.15 g/mol
LogP2.10
Rot. Bonds1

About 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine

3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine (PubChem CID 118045322) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine
PubChem CID118045322
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine
SMILESC[C@@H]1C[C@H](c2cnc(N)c(Br)n2)CCO1
InChIInChI=1S/C10H14BrN3O/c1-6-4-7(2-3-15-6)8-5-13-10(12)9(11)14-8/h5-7H,2-4H2,1H3,(H2,12,13)/t6-,7-/m1/s1
InChIKeyDHVSGNWEFLPPNX-RNFRBKRXSA-N
XLogP2.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine?
The IUPAC name of 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine (CID 118045322) is 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine is C[C@@H]1C[C@H](c2cnc(N)c(Br)n2)CCO1.
What is the InChIKey of 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine?
The InChIKey is DHVSGNWEFLPPNX-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6-4-7(2-3-15-6)8-5-13-10(12)9(11)14-8/h5-7H,2-4H2,1H3,(H2,12,13)/t6-,7-/m1/s1.
What are the key properties of 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine?
3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine has a molecular weight of 272.15 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2R,4R)-2-methyloxan-4-yl]pyrazin-2-amine is sourced from PubChem (CID 118045322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).