(2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol

C15H17ClFN3O — CID 90277655

IUPAC(2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1cncc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C15H17ClFN3O/c1-9(2)14(8-21)20-15-7-18-6-13(19-15)11-5-10(16)3-4-12(11)17/h3-7,9,14,21H,8H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyZZNWMSYYAQZTLZ-AWEZNQCLSA-N
MW309.77 g/mol
LogP3.36
Rot. Bonds5

About (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol

(2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 90277655) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID90277655
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name(2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1cncc(-c2cc(Cl)ccc2F)n1
InChIInChI=1S/C15H17ClFN3O/c1-9(2)14(8-21)20-15-7-18-6-13(19-15)11-5-10(16)3-4-12(11)17/h3-7,9,14,21H,8H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyZZNWMSYYAQZTLZ-AWEZNQCLSA-N
XLogP3.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol (CID 90277655) is (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1cncc(-c2cc(Cl)ccc2F)n1.
What is the InChIKey of (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is ZZNWMSYYAQZTLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-9(2)14(8-21)20-15-7-18-6-13(19-15)11-5-10(16)3-4-12(11)17/h3-7,9,14,21H,8H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
(2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 309.77 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(5-chloro-2-fluorophenyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 90277655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).