(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol

C12H21N3O2 — CID 124741988

IUPAC(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol
SMILESCCOc1cncc(NC[C@H](C)C[C@@H](C)O)n1
InChIInChI=1S/C12H21N3O2/c1-4-17-12-8-13-7-11(15-12)14-6-9(2)5-10(3)16/h7-10,16H,4-6H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyXCMJGPSWNJXBEE-NXEZZACHSA-N
MW239.32 g/mol
LogP1.69
Rot. Bonds7

About (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol

(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol (PubChem CID 124741988) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol
PubChem CID124741988
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol
SMILESCCOc1cncc(NC[C@H](C)C[C@@H](C)O)n1
InChIInChI=1S/C12H21N3O2/c1-4-17-12-8-13-7-11(15-12)14-6-9(2)5-10(3)16/h7-10,16H,4-6H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyXCMJGPSWNJXBEE-NXEZZACHSA-N
XLogP1.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol (CID 124741988) is (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol is CCOc1cncc(NC[C@H](C)C[C@@H](C)O)n1.
What is the InChIKey of (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol?
The InChIKey is XCMJGPSWNJXBEE-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-17-12-8-13-7-11(15-12)14-6-9(2)5-10(3)16/h7-10,16H,4-6H2,1-3H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol?
(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 124741988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).