5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine

C21H22FN5O — CID 90310623

IUPAC5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(CC3CCCCC3)c(Oc3ncccn3)c2F)cn1
InChIInChI=1S/C21H22FN5O/c22-19-16(17-12-27-18(23)13-26-17)8-7-15(11-14-5-2-1-3-6-14)20(19)28-21-24-9-4-10-25-21/h4,7-10,12-14H,1-3,5-6,11H2,(H2,23,27)
InChIKeyXNQUDJBYWUVKPM-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.57
Rot. Bonds5

About 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine

5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine (PubChem CID 90310623) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine
PubChem CID90310623
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(CC3CCCCC3)c(Oc3ncccn3)c2F)cn1
InChIInChI=1S/C21H22FN5O/c22-19-16(17-12-27-18(23)13-26-17)8-7-15(11-14-5-2-1-3-6-14)20(19)28-21-24-9-4-10-25-21/h4,7-10,12-14H,1-3,5-6,11H2,(H2,23,27)
InChIKeyXNQUDJBYWUVKPM-UHFFFAOYSA-N
XLogP4.57
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine (CID 90310623) is 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(CC3CCCCC3)c(Oc3ncccn3)c2F)cn1.
What is the InChIKey of 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine?
The InChIKey is XNQUDJBYWUVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-19-16(17-12-27-18(23)13-26-17)8-7-15(11-14-5-2-1-3-6-14)20(19)28-21-24-9-4-10-25-21/h4,7-10,12-14H,1-3,5-6,11H2,(H2,23,27).
What are the key properties of 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine?
5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine has a molecular weight of 379.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexylmethyl)-2-fluoro-3-pyrimidin-2-yloxyphenyl]pyrazin-2-amine is sourced from PubChem (CID 90310623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).