4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol

C16H19FN4O — CID 126473460

IUPAC4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESNc1ncc(-c2ccc(F)cc2)nc1NC1CCC(O)CC1
InChIInChI=1S/C16H19FN4O/c17-11-3-1-10(2-4-11)14-9-19-15(18)16(21-14)20-12-5-7-13(22)8-6-12/h1-4,9,12-13,22H,5-8H2,(H2,18,19)(H,20,21)
InChIKeyUPZTZGPNYOOHQO-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.58
Rot. Bonds3

About 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol

4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 126473460) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
PubChem CID126473460
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESNc1ncc(-c2ccc(F)cc2)nc1NC1CCC(O)CC1
InChIInChI=1S/C16H19FN4O/c17-11-3-1-10(2-4-11)14-9-19-15(18)16(21-14)20-12-5-7-13(22)8-6-12/h1-4,9,12-13,22H,5-8H2,(H2,18,19)(H,20,21)
InChIKeyUPZTZGPNYOOHQO-UHFFFAOYSA-N
XLogP2.58
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol (CID 126473460) is 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol is Nc1ncc(-c2ccc(F)cc2)nc1NC1CCC(O)CC1.
What is the InChIKey of 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is UPZTZGPNYOOHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-11-3-1-10(2-4-11)14-9-19-15(18)16(21-14)20-12-5-7-13(22)8-6-12/h1-4,9,12-13,22H,5-8H2,(H2,18,19)(H,20,21).
What are the key properties of 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol?
4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 302.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 126473460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).